N-(2-chloropyridin-3-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(2-chloropyridin-3-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
N-(2-chloropyridin-3-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y040-8758 |
| Compound Name: | N-(2-chloropyridin-3-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C20 H20 Cl N5 O2 |
| Smiles: | C1C[C@@H](CC[C@H]1CN1C(c2ccccc2N=N1)=O)C(Nc1cccnc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5011 |
| logD: | 3.4993 |
| logSw: | -3.8923 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.203 |
| InChI Key: | LSPXWWDTSDLTNT-UHFFFAOYSA-N |