5-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-2926 |
| Compound Name: | 5-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C20 H19 Cl N4 O3 S |
| Smiles: | [H]N(C(c1nnc(CCC(Nc2cc(ccc2OC)[Cl])=O)s1)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.53 |
| logD: | 3.523 |
| logSw: | -3.902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.139 |
| InChI Key: | BHANBGCQXWBMAN-UHFFFAOYSA-N |