methyl 3-({[(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({[(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate
methyl 3-({[(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 6424-0041 |
| Compound Name: | methyl 3-({[(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 301.36 |
| Molecular Formula: | C15 H15 N3 O2 S |
| Smiles: | COC(c1cccc(c1)NC(NCc1cccnc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1989 |
| logD: | 2.1953 |
| logSw: | -2.466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.075 |
| InChI Key: | WXHSTAICNYQUQX-UHFFFAOYSA-N |