(1S,4r)-4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
(1S,4r)-4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexane-1-carboxylic acid
(1S,4r)-4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y044-0048 |
| Compound Name: | (1S,4r)-4-{[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | C[C@@H](C(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0229 |
| logD: | -0.5375 |
| logSw: | -2.6271 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.751 |
| InChI Key: | ATCDLPFBFFTSRV-HIFPTAJRSA-N |