N-(4-bromo-3-methylphenyl)-N'-{5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}urea
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N'-{5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}urea
N-(4-bromo-3-methylphenyl)-N'-{5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}urea
Compound characteristics
| Compound ID: | E002-1397 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N'-{5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}urea |
| Molecular Weight: | 398.32 |
| Molecular Formula: | C15 H20 Br N5 O S |
| Smiles: | CCCCN(C)c1nnc(NC(Nc2ccc(c(C)c2)[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0331 |
| logD: | 5.0331 |
| logSw: | -4.5452 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.106 |
| InChI Key: | PPMYMFALDKKNKC-UHFFFAOYSA-N |