2,2-dimethyl-N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
2,2-dimethyl-N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | V010-7869 |
| Compound Name: | 2,2-dimethyl-N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C14 H16 N4 O3 S2 |
| Smiles: | CC(C)(C)C(Nc1nnc(SCc2cccc(c2)[N+]([O-])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9428 |
| logD: | 3.9381 |
| logSw: | -3.9489 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.617 |
| InChI Key: | PYXNEQWLTYXCKU-UHFFFAOYSA-N |