methyl 2-{[(2,4-dichlorobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2,4-dichlorobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[(2,4-dichlorobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-9270 |
| Compound Name: | methyl 2-{[(2,4-dichlorobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 443.37 |
| Molecular Formula: | C18 H16 Cl2 N2 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(NC(c1ccc(cc1[Cl])[Cl])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3797 |
| logD: | 2.6327 |
| logSw: | -6.1724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.129 |
| InChI Key: | VAQUXSQUWWRCKU-UHFFFAOYSA-N |