AC1LLJHC

ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Also Known As: CBKinase1_001265|CBKinase1_013665|Oprea1_328204|Oprea1_805593|BAS 00924111|AK-968/12098790|BRD-K31478290-001-01-3|ethyl 2-(2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ethyl 2-[2-(4-chloro-5-methyl-3-nitropyrazolyl)acetylamino]-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate|ethyl 2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ETHYL 2-{[2-(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETYL]AMINO}-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE

Molecular Formula	C16H17ClN4O5S
Molecular Weight	412.06082 g/mol
LogP	3.11872
Topological Polar Surface Area	116.36 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	412.06082
Monoisotopic Mass	412.06082
Heavy Atoms	27
Complexity	935.87604

Chemical Identifiers

CAS Number	355804-95-4
SMILES	CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C