ethyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D233-0595 |
| Compound Name: | ethyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 437.97 |
| Molecular Formula: | C19 H20 Cl N3 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1c(C(=O)OCC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1156 |
| logD: | 0.2691 |
| logSw: | -5.7699 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.384 |
| InChI Key: | YWEMTCYVNVVBOQ-UHFFFAOYSA-N |