3-methyl-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
3-methyl-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
3-methyl-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 3820-6418 |
| Compound Name: | 3-methyl-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide |
| Molecular Weight: | 388.45 |
| Molecular Formula: | C21 H16 N4 O2 S |
| Smiles: | Cc1cccc(c1)C(NC(Nc1ccc2c(c1)nc(c1ccncc1)o2)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0508 |
| logD: | 4.0478 |
| logSw: | -3.9722 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.478 |
| InChI Key: | DKDQXXLSGRETJL-UHFFFAOYSA-N |