methyl 2-[(5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-[(5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D233-0541 |
| Compound Name: | methyl 2-[(5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 477.96 |
| Molecular Formula: | C21 H17 Cl F N3 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(cc1)F)[Cl])=O)c1c(C(=O)OC)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8992 |
| logD: | 0.0321 |
| logSw: | -5.1272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.898 |
| InChI Key: | BODFKAOXWUTXPQ-UHFFFAOYSA-N |