(2S)-({(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)(phenyl)acetic acid
Chemical Structure Depiction of
(2S)-({(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)(phenyl)acetic acid
(2S)-({(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)(phenyl)acetic acid
Compound characteristics
| Compound ID: | Y042-2764 |
| Compound Name: | (2S)-({(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)(phenyl)acetic acid |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | C1C[C@@H](CC[C@H]1CN1C(c2ccccc2N=N1)=O)C(N[C@H](C(O)=O)c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7354 |
| logD: | -1.139 |
| logSw: | -3.4385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.298 |
| InChI Key: | HCALKPNAORYWSW-MKJPBZQASA-N |