4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide
4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y040-2982 |
| Compound Name: | 4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C21 H23 N5 O2 |
| Smiles: | C1C[C@@H](CC[C@H]1C(NCc1cccnc1)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4258 |
| logD: | 2.4234 |
| logSw: | -2.4361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.056 |
| InChI Key: | DOUWTIZBKYLMCW-UHFFFAOYSA-N |