3-chloro-4-methoxy-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide
Chemical Structure Depiction of
3-chloro-4-methoxy-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide
3-chloro-4-methoxy-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide
Compound characteristics
| Compound ID: | 3792-1668 |
| Compound Name: | 3-chloro-4-methoxy-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C21 H18 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1[Cl])C(NC(Nc1ccc(Cc2ccncc2)cc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0393 |
| logD: | 4.0368 |
| logSw: | -4.5387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.027 |
| InChI Key: | HLEBNNGCDDTCEQ-UHFFFAOYSA-N |