5-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-2826 |
| Compound Name: | 5-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C20 H19 Cl N4 O2 S |
| Smiles: | [H]N(C(c1nnc(CCC(Nc2cccc(c2C)[Cl])=O)s1)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0844 |
| logD: | 4.084 |
| logSw: | -4.2689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.509 |
| InChI Key: | AIXTYSGUHNDFIU-UHFFFAOYSA-N |