N-(3-chlorophenyl)-5-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0447 |
| Compound Name: | N-(3-chlorophenyl)-5-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 498.05 |
| Molecular Formula: | C25 H28 Cl N5 O2 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CCCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8353 |
| logD: | 4.8318 |
| logSw: | -4.7081 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.928 |
| InChI Key: | HJVHTFFHXRIHLK-SFHVURJKSA-N |