N-(4-methoxyphenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)butyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)butyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-methoxyphenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)butyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0181 |
| Compound Name: | N-(4-methoxyphenyl)-5-(4-oxo-4-{[3-(pyrrolidin-1-yl)butyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CC(CCNC(CCCc1nnc(C(Nc2ccc(cc2)OC)=O)s1)=O)N1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7611 |
| logD: | -1.6916 |
| logSw: | -2.4531 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.921 |
| InChI Key: | AENIDATUZOYEIJ-INIZCTEOSA-N |