AC1M5OSK

methyl 4,5-dimethyl-2-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate

Also Known As: methyl 4,5-dimethyl-2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamido)thiophene-3-carboxylate|methyl 4,5-dimethyl-2-[2-(4-oxo-3-prop-2-enyl(3,5,6,7-tetrahydrocyclopenta[2,1 -d]pyrimidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate

Molecular Formula	C22H23N3O4S3
Molecular Weight	489.08508 g/mol
LogP	4.32844
Topological Polar Surface Area	90.29 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	489.08508
Monoisotopic Mass	489.08508
Heavy Atoms	32
Complexity	1302.2046

Chemical Identifiers

CAS Number	499232-45-0
SMILES	CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C)C