N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | V013-9148 |
| Compound Name: | N-(5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C14 H14 N4 O4 S2 |
| Smiles: | CCCC(Nc1nnc(SCC(c2cccc(c2)[N+]([O-])=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4512 |
| logD: | 3.4489 |
| logSw: | -3.8723 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.651 |
| InChI Key: | KSHYWVOROKBXEP-UHFFFAOYSA-N |