ethyl 2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D053-0253 |
| Compound Name: | ethyl 2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C16 H16 Cl N3 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1c(C(=O)OCC)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3784 |
| logD: | -3.5955 |
| logSw: | -3.4943 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.326 |
| InChI Key: | WAHFNABDSRYOBQ-UHFFFAOYSA-N |