N-(5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
N-(5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V028-1993 |
| Compound Name: | N-(5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 441.31 |
| Molecular Formula: | C16 H10 Cl2 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])Sc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.7526 |
| logD: | 5.3535 |
| logSw: | -6.1263 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.345 |
| InChI Key: | CUTHUSAKMLRGQL-UHFFFAOYSA-N |