5-[(3S)-1,2-dithiolan-3-yl]-N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}pentanamide
Chemical Structure Depiction of
5-[(3S)-1,2-dithiolan-3-yl]-N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}pentanamide
5-[(3S)-1,2-dithiolan-3-yl]-N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}pentanamide
Compound characteristics
| Compound ID: | Y043-5208 |
| Compound Name: | 5-[(3S)-1,2-dithiolan-3-yl]-N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}pentanamide |
| Molecular Weight: | 392.54 |
| Molecular Formula: | C18 H24 N4 O2 S2 |
| Smiles: | COCc1nc(c2ccc(cc2)NC(CCCC[C@H]2CCSS2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 3.1592 |
| logD: | 3.1551 |
| logSw: | -3.5033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.874 |
| InChI Key: | FBUFPMALIFUSDY-HNNXBMFYSA-N |