ethyl 4-({[(4-methylphenyl)methyl][(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[(4-methylphenyl)methyl][(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({[(4-methylphenyl)methyl][(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C087-0145 |
| Compound Name: | ethyl 4-({[(4-methylphenyl)methyl][(pyridin-3-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C24 H25 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N(Cc1ccc(C)cc1)Cc1cccnc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8149 |
| logD: | 4.8143 |
| logSw: | -4.1836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.699 |
| InChI Key: | QXPBHXFGZIFYND-UHFFFAOYSA-N |