N-{4-[(1-hydroxycyclohexyl)ethynyl]benzoyl}histidine
Chemical Structure Depiction of
N-{4-[(1-hydroxycyclohexyl)ethynyl]benzoyl}histidine
N-{4-[(1-hydroxycyclohexyl)ethynyl]benzoyl}histidine
Compound characteristics
| Compound ID: | 8016-4404 |
| Compound Name: | N-{4-[(1-hydroxycyclohexyl)ethynyl]benzoyl}histidine |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | C1CCC(CC1)(C#Cc1ccc(cc1)C(NC(Cc1cnc[nH]1)C(O)=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1907 |
| logD: | -2.4775 |
| logSw: | -1.5378 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 89.977 |
| InChI Key: | OIZDEHQOEOHYGO-SFHVURJKSA-N |