2-bromo-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
2-bromo-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
2-bromo-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | V012-1880 |
| Compound Name: | 2-bromo-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 448.36 |
| Molecular Formula: | C18 H14 Br N3 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(NC(c2ccccc2[Br])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7474 |
| logD: | 4.4566 |
| logSw: | -4.5383 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.211 |
| InChI Key: | HMMHMGXUHFNLMQ-UHFFFAOYSA-N |