2-(5-{[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-(5-{[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethan-1-one
2-(5-{[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-2604 |
| Compound Name: | 2-(5-{[1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}-3-nitro-1H-1,2,4-triazol-1-yl)-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 445.46 |
| Molecular Formula: | C17 H19 N9 O4 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(nnn1)Sc1nc(nn1CC(N1CCOCC1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6777 |
| logD: | 1.6777 |
| logSw: | -2.366 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 120.565 |
| InChI Key: | DPHHCWKENRNMOY-UHFFFAOYSA-N |