(1-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexyl)acetic acid
Chemical Structure Depiction of
(1-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexyl)acetic acid
(1-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexyl)acetic acid
Compound characteristics
| Compound ID: | Y040-8598 |
| Compound Name: | (1-{[3-(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: | C1CCC(CC1)(CC(O)=O)CNC(CCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3568 |
| logD: | -1.4027 |
| logSw: | -2.0748 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.959 |
| InChI Key: | LAUJVKVRJIJGRQ-UHFFFAOYSA-N |