N-(1H-benzotriazol-7-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(1H-benzotriazol-7-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
N-(1H-benzotriazol-7-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8018-1640 |
| Compound Name: | N-(1H-benzotriazol-7-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 315.29 |
| Molecular Formula: | C13 H13 N7 O3 |
| Smiles: | Cc1c(c(C)n(CC(Nc2cccc3c2[nH]nn3)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6871 |
| logD: | 0.5243 |
| logSw: | -2.1984 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.126 |
| InChI Key: | VJYHYJZHIDFIEC-UHFFFAOYSA-N |