N-{4-[(4-oxo-1,4-dihydro-1,2,3-benzotriazin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine
Chemical Structure Depiction of
N-{4-[(4-oxo-1,4-dihydro-1,2,3-benzotriazin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine
N-{4-[(4-oxo-1,4-dihydro-1,2,3-benzotriazin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine
Compound characteristics
| Compound ID: | Y040-8617 |
| Compound Name: | N-{4-[(4-oxo-1,4-dihydro-1,2,3-benzotriazin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C18 H24 N4 O4 |
| Smiles: | C(CNC([C@H]1CC[C@@H](CC1)CN1C(c2ccccc2NN1)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6811 |
| logD: | -2.0145 |
| logSw: | -2.0716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 95.236 |
| InChI Key: | OCGXWNOFCVTCFH-UHFFFAOYSA-N |