ethyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D053-0410 |
| Compound Name: | ethyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 471.98 |
| Molecular Formula: | C19 H22 Cl N3 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1c(C(=O)OCC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.894 |
| logD: | -2.0593 |
| logSw: | -4.509 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.248 |
| InChI Key: | ZELNGUOUBLASHD-UHFFFAOYSA-N |