N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V010-3274 |
| Compound Name: | N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C17 H14 N4 O4 S2 |
| Salt: | not_available |
| Smiles: | COc1cccc(CSc2nnc(NC(c3cccc(c3)[N+]([O-])=O)=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4908 |
| logD: | 4.0918 |
| logSw: | -4.4418 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.889 |
| InChI Key: | AXBOTBZCOVPWBP-UHFFFAOYSA-N |