N-{5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(3-bromophenyl)urea
Chemical Structure Depiction of
N-{5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(3-bromophenyl)urea
N-{5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(3-bromophenyl)urea
Compound characteristics
| Compound ID: | E002-1501 |
| Compound Name: | N-{5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(3-bromophenyl)urea |
| Molecular Weight: | 418.31 |
| Molecular Formula: | C17 H16 Br N5 O S |
| Smiles: | CN(Cc1ccccc1)c1nnc(NC(Nc2cccc(c2)[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2578 |
| logD: | 5.2576 |
| logSw: | -5.0445 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.856 |
| InChI Key: | OBUDEXVAHLBVCJ-UHFFFAOYSA-N |