N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V012-3776 |
| Compound Name: | N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C20 H20 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(CSc2nnc(NC(c3cccc(c3)[N+]([O-])=O)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9524 |
| logD: | 5.5533 |
| logSw: | -5.513 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.345 |
| InChI Key: | UIAYLMDWLPBFOQ-UHFFFAOYSA-N |