5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0030 |
| Compound Name: | 5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 459.36 |
| Molecular Formula: | C20 H19 Br N4 O2 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(CCC(Nc2ccc(c(C)c2)[Br])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5151 |
| logD: | 4.515 |
| logSw: | -4.2228 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.207 |
| InChI Key: | NHFUHRMIGDBPNC-UHFFFAOYSA-N |