Israpafant

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via 3Dmol.js
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Physical properties []
Molecular mass	489.1 g/mol [1]
Predicted LogP	7.5 [1]

Structural Identifiers []
Molecular formula	C28H29ClN4S [1]
IUPAC name	7-(2-chlorophenyl)-9,13-dimethyl-4-[2-[4-(2-methylpropyl)phenyl]ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene [1]
SMILES	CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C [1]
InChI	InChI=1S/C28H29ClN4S/c1-17(2)15-21-11-9-20(10-12-21)13-14-22-16-24-26(23-7-5-6-8-25(23)29)30-18(3)27-32-31-19(4)33(27)28(24)34-22/h5-12,16-18H,13-15H2,1-4H3 [1]
InChIKey	RMSWMRJVUJSDGN-UHFFFAOYSA-N [1]

Israpafant

Israpafant (also known as 4-(2-Chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, -4-(o-Chlorophenyl)-2-(p-isobutylphenethyl)-6,9-dimethyl-6H-thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepine, 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 4-(2-chlorophenyl)-6,9-dimethyl-2-(2-(4-(2-methylpropyl)phenyl)ethyl)-, 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 4-(2-chlorophenyl)-6,9-dimethyl-2-[2-[4-(2-methylpropyl)phenyl]ethyl]-, 7-(2-chlorophenyl)-9,13-dimethyl-4-{2-[4-(2-methylpropyl)phenyl]ethyl}-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaene, israpafantum, 4-(2-Chlorophenyl)-2-[2-(4-isobutylphenyl)ethyl]-6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 7-(2-chlorophenyl)-9,13-dimethyl-4-(2-(4-(2-methylpropyl)phenyl)ethyl)-3-thia-1,8,11,12-tetraazatricyclo(8.3.0.0^(2,6))trideca-2(6),4,7,10,12-pentaene, nocas or Y-24180) is a substance of the thienotriazolodiazepine class.

Chemistry