N-(3-bromophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(3-bromophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
N-(3-bromophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y040-2989 |
| Compound Name: | N-(3-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]1CN1C(c2ccccc2N=N1)=O)C(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7727 |
| logD: | 4.772 |
| logSw: | -4.8213 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.216 |
| InChI Key: | XGWAXENLXPANOL-UHFFFAOYSA-N |