AC1LTMDA

4-O-ethyl 2-O-methyl 3-methyl-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]thiophene-2,4-dicarboxylate

Also Known As: Oprea1_470360|UPCMLD0ENAT0513-7622:001|F0863-0368|AF-399/15031073|SR-01000474071-1|4-ethyl 2-methyl 5-({[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate|4-ethyl 2-methyl 3-methyl-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)thiophene-2,4-dicarboxylate|4-ethyl 2-methyl 5-(2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate|4-O-Ethyl 2-O-methyl 3-methyl-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]thiophene-2,4-dicarboxylate|4-ethyl 2-methyl 5-[({11-allyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9-trien-10-ylthio}methyl)carbonylamino]-3-methyl-2,4-thiophenedicarboxylate

Molecular Formula	C24H25N3O6S3
Molecular Weight	547.0906 g/mol
LogP	4.19672
Topological Polar Surface Area	116.59 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	547.0906
Monoisotopic Mass	547.0906
Heavy Atoms	36
Complexity	1435.1927

Chemical Identifiers

CAS Number	314261-32-0
SMILES	CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C