4-{[(2RS)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)pentanamido]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[(2RS)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)pentanamido]methyl}cyclohexane-1-carboxylic acid
4-{[(2RS)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)pentanamido]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y040-8616 |
| Compound Name: | 4-{[(2RS)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)pentanamido]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C21 H28 N4 O4 |
| Smiles: | CC[C@@H](C)[C@@H](C(NCC1CCC(CC1)C(O)=O)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1724 |
| logD: | 0.6121 |
| logSw: | -3.6772 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.371 |
| InChI Key: | USUQFNCQIMZJIS-RMYJWEKJSA-N |