ethyl 2-{[(4-methoxyphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-methoxyphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(4-methoxyphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3379-1723 |
| Compound Name: | ethyl 2-{[(4-methoxyphenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 390.52 |
| Molecular Formula: | C19 H22 N2 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Nc1ccc(cc1)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9657 |
| logD: | 4.5688 |
| logSw: | -4.7017 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.073 |
| InChI Key: | URBKFYKWYFDLPU-UHFFFAOYSA-N |