methyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | D054-0284 |
Compound Name: | methyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
Molecular Weight: | 397.9 |
Molecular Formula: | C16 H16 Cl N3 O3 S2 |
Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1c(C(=O)OC)c2CCCc2s1 |
Stereo: | ACHIRAL |
logP: | 4.064 |
logD: | -0.8032 |
logSw: | -4.5602 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.17 |
InChI Key: | GJWJFKYJGOOJGI-UHFFFAOYSA-N |