AC1LYSS8

2-[4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid

Also Known As: SR-01000505935-1|2-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid|2-(4-{[(3,4-difluorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid|2-(4-{[(3,4-DIFLUOROPHENYL)FORMAMIDO]METHANETHIOYL}PIPERAZIN-1-YL)-8-ETHYL-5-OXO-5H,8H-PYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID|2-[4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid|2-[4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid

Molecular Formula	C22H20F2N6O4S
Molecular Weight	502.12347 g/mol
LogP	1.6247
Topological Polar Surface Area	120.66 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	502.12347
Monoisotopic Mass	502.12347
Heavy Atoms	35
Complexity	1404.6918

Chemical Identifiers

CAS Number	369404-09-1
SMILES	CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)F)F)C(=O)O