N-(3-chlorophenyl)-5-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0500 |
| Compound Name: | N-(3-chlorophenyl)-5-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C19 H24 Cl N5 O2 S |
| Smiles: | CCN1CCN(CC1)C(CCCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4515 |
| logD: | 2.1311 |
| logSw: | -3.4865 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.987 |
| InChI Key: | IHJKXWOFYKPNEY-UHFFFAOYSA-N |