Apafant

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via 3Dmol.js
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Physical properties []
Molecular mass	456.0 g/mol [1]
Predicted LogP	1.1 [1]

Structural Identifiers []
Molecular formula	C22H22ClN5O2S [1]
IUPAC name	3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one [1]
SMILES	CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl [1]
InChI	InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3 [1]
InChIKey	JGPJQFOROWSRRS-UHFFFAOYSA-N [1]

Apafant

Apafant (also known as WEB-2086, Web 2086, triazolodiazepine, Apafanto, Apafantum, WEB2086, WEB 2086BS, Web 2086 bs, Web-2086-bs or 3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-yl)-1-(4-morpholinyl)-1-propanone) is a substance of the thienotriazolodiazepine class.

Chemistry