N-(3-methoxyphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
N-(3-methoxyphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y042-9002 |
| Compound Name: | N-(3-methoxyphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C22 H24 N4 O3 |
| Smiles: | COc1cccc(c1)NC([C@@H]1CC[C@H](CC1)CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0311 |
| logD: | 4.031 |
| logSw: | -4.3471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.76 |
| InChI Key: | VGNFYHBNARBCBV-UHFFFAOYSA-N |