AC1LTMDV

dimethyl 5-[[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]benzene-1,3-dicarboxylate

Also Known As: ChemDiv1_008809|Oprea1_045180|HMS612A09|UPCMLD0ENAT0513-7595:001|1,3-dimethyl 5-(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)benzene-1,3-dicarboxylate|AF-399/15031080|SR-01000477059-1|F0863-0341|Dimethyl 5-[[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]benzene-1,3-dicarboxylate|dimethyl 5-({[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)isophthalate|dimethyl 5-(2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)isophthalate|methyl 3-(methoxycarbonyl)-5-[2-(4-oxo-3-prop-2-enyl(3,5,6,7-tetrahydrocyclope nta[2,1-d]pyrimidino[4,5-b]thiophen-2-ylthio))acetylamino]benzoate

Molecular Formula	C24H23N3O6S2
Molecular Weight	513.10284 g/mol
LogP	3.4367
Topological Polar Surface Area	116.59 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	513.10284
Monoisotopic Mass	513.10284
Heavy Atoms	35
Complexity	1374.2358

Chemical Identifiers

CAS Number	314261-45-5
SMILES	COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C)C(=O)OC