ethyl 4-({[(2-chlorophenyl)methyl][(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[(2-chlorophenyl)methyl][(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({[(2-chlorophenyl)methyl][(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C087-0147 |
| Compound Name: | ethyl 4-({[(2-chlorophenyl)methyl][(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C23 H22 Cl N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N(Cc1cccnc1)Cc1ccccc1[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1612 |
| logD: | 5.1606 |
| logSw: | -5.6113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.699 |
| InChI Key: | DXISDGCRKWLIKS-UHFFFAOYSA-N |