ethyl 2-({5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D233-0724 |
| Compound Name: | ethyl 2-({5-chloro-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 439.98 |
| Molecular Formula: | C19 H22 Cl N3 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC(C)C)[Cl])=O)c1c(C(=O)OCC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2606 |
| logD: | 0.4141 |
| logSw: | -5.9584 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.384 |
| InChI Key: | ZRBSLVWZCCEOKE-UHFFFAOYSA-N |