3-bromo-N-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
3-bromo-N-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
3-bromo-N-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | V013-1266 |
| Compound Name: | 3-bromo-N-(5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 436.35 |
| Molecular Formula: | C17 H14 Br N3 O2 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(CSc2nnc(NC(c3cccc(c3)[Br])=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0433 |
| logD: | 4.772 |
| logSw: | -4.7532 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.508 |
| InChI Key: | XQQGAFBZCQBLMW-UHFFFAOYSA-N |