N-(3-chlorophenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)butyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)butyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)butyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0567 |
| Compound Name: | N-(3-chlorophenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)butyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 450 |
| Molecular Formula: | C21 H28 Cl N5 O2 S |
| Smiles: | CC(CCNC(CCCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O)N1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5323 |
| logD: | -0.9204 |
| logSw: | -3.5366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.377 |
| InChI Key: | LZWZORBEJLNYNU-HNNXBMFYSA-N |