2-(5-{[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(5-{[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
2-(5-{[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-1641 |
| Compound Name: | 2-(5-{[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 429.46 |
| Molecular Formula: | C17 H19 N9 O3 S |
| Smiles: | Cc1ccc(cc1)n1c(nnn1)Sc1nc(nn1CC(N1CCCCC1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1598 |
| logD: | 2.1598 |
| logSw: | -2.564 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 112.958 |
| InChI Key: | TUIDVNSRFYCQSG-UHFFFAOYSA-N |