5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-carbonyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-carbonyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-carbonyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F865-0842 |
| Compound Name: | 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-carbonyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 490.02 |
| Molecular Formula: | C23 H28 Cl N5 O3 S |
| Smiles: | C1CCCN(CC1)C(CC1CCN(CC1)C(c1nnc(C(Nc2ccc(cc2)[Cl])=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7302 |
| logD: | 3.6858 |
| logSw: | -4.4137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.934 |
| InChI Key: | NVRQXHKBHWXLOX-UHFFFAOYSA-N |