ethyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D053-0327 |
| Compound Name: | ethyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 457.95 |
| Molecular Formula: | C18 H20 Cl N3 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1c(C(=O)OCC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4393 |
| logD: | -2.514 |
| logSw: | -4.0825 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.248 |
| InChI Key: | RGVSBJKUMMNWDN-UHFFFAOYSA-N |