5-[(3S)-1,2-dithiolan-3-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pentanamide
Chemical Structure Depiction of
5-[(3S)-1,2-dithiolan-3-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pentanamide
5-[(3S)-1,2-dithiolan-3-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pentanamide
Compound characteristics
| Compound ID: | Y043-2963 |
| Compound Name: | 5-[(3S)-1,2-dithiolan-3-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}pentanamide |
| Molecular Weight: | 362.51 |
| Molecular Formula: | C17 H22 N4 O S2 |
| Smiles: | C(CC[C@H]1CCSS1)CC(Nc1ccc(Cn2cncn2)cc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4653 |
| logD: | 2.4653 |
| logSw: | -2.6963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.651 |
| InChI Key: | LFBLGRHXZKUPHH-INIZCTEOSA-N |