3-chloro-N-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)carbamoyl]benzamide
Chemical Structure Depiction of
3-chloro-N-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)carbamoyl]benzamide
3-chloro-N-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)carbamoyl]benzamide
Compound characteristics
| Compound ID: | 8016-1222 |
| Compound Name: | 3-chloro-N-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)carbamoyl]benzamide |
| Molecular Weight: | 293.71 |
| Molecular Formula: | C12 H12 Cl N5 O2 |
| Smiles: | Cc1nnc(C)n1NC(NC(c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.355 |
| logD: | -2.9964 |
| logSw: | -2.5396 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.225 |
| InChI Key: | VTIUBSRQTUBCOB-UHFFFAOYSA-N |