3-nitro-N-(2-phenyl-2H-benzotriazol-5-yl)-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
3-nitro-N-(2-phenyl-2H-benzotriazol-5-yl)-4-(pyrrolidin-1-yl)benzamide
3-nitro-N-(2-phenyl-2H-benzotriazol-5-yl)-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | 7840-3811 |
| Compound Name: | 3-nitro-N-(2-phenyl-2H-benzotriazol-5-yl)-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C23 H20 N6 O3 |
| Smiles: | C1CCN(C1)c1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nn(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6003 |
| logD: | 4.3567 |
| logSw: | -4.5239 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.962 |
| InChI Key: | JUOQCMBWIGZSLM-UHFFFAOYSA-N |