ethyl 2-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C200-1582 |
| Compound Name: | ethyl 2-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 424.97 |
| Molecular Formula: | C19 H21 Cl N2 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Nc1ccc(c(c1)[Cl])OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.494 |
| logD: | 4.3479 |
| logSw: | -6.1949 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.16 |
| InChI Key: | BVBXPGIEQNQNSD-UHFFFAOYSA-N |