AC1MXS7G

ethyl 2-[[2-[5-(2-chlorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Also Known As: F3394-0365|ethyl 2-(2-{[5-(2-chlorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-(2-((3-allyl-5-(2-chlorophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[[2-[5-(2-chlorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-({[5-allyl-3-(o-chlorophenyl)-4-oxo-1-thia-5,7-diaza-4,5-dihydro-6-indenylthio]methyl}carbonylamino)-1-thia-5,6,7,8-tetrahydro-4H-azulene-3-carboxylate

Molecular Formula	C29H28ClN3O4S3
Molecular Weight	613.093 g/mol
LogP	7.2023
Topological Polar Surface Area	90.29 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	613.093
Monoisotopic Mass	613.093
Heavy Atoms	40
Complexity	1656.1564

Chemical Identifiers

CAS Number	690644-61-2
SMILES	CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5Cl)C(=O)N3CC=C