N-[2-(1H-indol-3-yl)ethyl]-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[2-(1H-indol-3-yl)ethyl]-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
N-[2-(1H-indol-3-yl)ethyl]-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y040-9815 |
| Compound Name: | N-[2-(1H-indol-3-yl)ethyl]-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | C(CNC([C@@H]1CC[C@H](CC1)CN1C(c2ccccc2N=N1)=O)=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.1783 |
| logD: | 4.1783 |
| logSw: | -4.4247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.25 |
| InChI Key: | KUVIGVRNNXOUSM-UHFFFAOYSA-N |