methyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D053-0332 |
| Compound Name: | methyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C17 H18 Cl N3 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1c(C(=O)OC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.057 |
| logD: | -2.8963 |
| logSw: | -3.7532 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.668 |
| InChI Key: | GFNXDNJXQOXGDM-UHFFFAOYSA-N |