(1-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexyl)acetic acid
Chemical Structure Depiction of
(1-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexyl)acetic acid
(1-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexyl)acetic acid
Compound characteristics
| Compound ID: | Y044-5671 |
| Compound Name: | (1-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexyl)acetic acid |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C19 H24 N4 O4 |
| Smiles: | C[C@@H](C(NCC1(CCCCC1)CC(O)=O)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7517 |
| logD: | -1.0078 |
| logSw: | -2.371 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.727 |
| InChI Key: | PLNLZJKEJPFNCB-ZDUSSCGKSA-N |