N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-[(4-methylphenyl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-[(4-methylphenyl)sulfanyl]acetamide
N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-[(4-methylphenyl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8009-7452 |
| Compound Name: | N-{5-[2-(4-bromobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-[(4-methylphenyl)sulfanyl]acetamide |
| Molecular Weight: | 512.46 |
| Molecular Formula: | C19 H18 Br N3 O3 S3 |
| Smiles: | Cc1ccc(cc1)SCC(Nc1nnc(CCS(c2ccc(cc2)[Br])(=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6458 |
| logD: | 4.5825 |
| logSw: | -4.3136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.921 |
| InChI Key: | XLMGQCZHHASKEP-UHFFFAOYSA-N |