3,5,5-trimethyl-N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide
Chemical Structure Depiction of
3,5,5-trimethyl-N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide
3,5,5-trimethyl-N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide
Compound characteristics
| Compound ID: | V030-8210 |
| Compound Name: | 3,5,5-trimethyl-N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C19 H24 N4 O4 S2 |
| Salt: | not_available |
| Smiles: | CC(CC(Nc1nnc(SCC(c2cccc(c2)[N+]([O-])=O)=O)s1)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3654 |
| logD: | 5.3617 |
| logSw: | -5.4009 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.651 |
| InChI Key: | LXKMRSGPLPLNQY-GFCCVEGCSA-N |