N-(2-bromophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(2-bromophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
N-(2-bromophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y040-2966 |
| Compound Name: | N-(2-bromophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 441.33 |
| Molecular Formula: | C21 H21 Br N4 O2 |
| Smiles: | C1C[C@@H](CC[C@H]1C(Nc1ccccc1[Br])=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.526 |
| logD: | 4.5259 |
| logSw: | -4.5552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.518 |
| InChI Key: | ASVPTQBYZJLOTK-UHFFFAOYSA-N |