2-chloro-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide
Chemical Structure Depiction of
2-chloro-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide
2-chloro-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide
Compound characteristics
| Compound ID: | 3791-0006 |
| Compound Name: | 2-chloro-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide |
| Molecular Weight: | 381.88 |
| Molecular Formula: | C20 H16 Cl N3 O S |
| Smiles: | C(c1ccc(cc1)NC(NC(c1ccccc1[Cl])=O)=S)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 4.174 |
| logD: | 4.1687 |
| logSw: | -4.498 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.396 |
| InChI Key: | HIJDQJUSRFMSOK-UHFFFAOYSA-N |