5-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0008 |
| Compound Name: | 5-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 460.94 |
| Molecular Formula: | C21 H21 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(CCC(Nc2cc(c(cc2OC)OC)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6393 |
| logD: | 3.6248 |
| logSw: | -4.0077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.77 |
| InChI Key: | NBEYHSHZJXTVFD-UHFFFAOYSA-N |