methyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D053-0425 |
| Compound Name: | methyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C17 H18 Cl N3 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1c(C(=O)OC)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1014 |
| logD: | -2.8725 |
| logSw: | -3.753 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.034 |
| InChI Key: | YHJBVXBBXHSRBH-UHFFFAOYSA-N |