2-{1-[(1H-pyrrol-1-yl)methyl]cyclohexyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Chemical Structure Depiction of
2-{1-[(1H-pyrrol-1-yl)methyl]cyclohexyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
2-{1-[(1H-pyrrol-1-yl)methyl]cyclohexyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Compound characteristics
| Compound ID: | Y043-6035 |
| Compound Name: | 2-{1-[(1H-pyrrol-1-yl)methyl]cyclohexyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide |
| Molecular Weight: | 377.49 |
| Molecular Formula: | C22 H27 N5 O |
| Smiles: | C1CCC(CC1)(CC(Nc1ccc(Cn2cncn2)cc1)=O)Cn1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5851 |
| logD: | 2.585 |
| logSw: | -2.9031 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.096 |
| InChI Key: | NWUHUGVDMKUBRT-UHFFFAOYSA-N |