N-(4-methylphenyl)-5-[(2-oxo-2-{[3-(pyrrolidin-1-yl)butyl]amino}ethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-5-[(2-oxo-2-{[3-(pyrrolidin-1-yl)butyl]amino}ethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(4-methylphenyl)-5-[(2-oxo-2-{[3-(pyrrolidin-1-yl)butyl]amino}ethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0376 |
| Compound Name: | N-(4-methylphenyl)-5-[(2-oxo-2-{[3-(pyrrolidin-1-yl)butyl]amino}ethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Smiles: | CC(CCNC(COCc1nnc(C(Nc2ccc(C)cc2)=O)s1)=O)N1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5798 |
| logD: | -1.8729 |
| logSw: | -2.357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.811 |
| InChI Key: | NEGSUUPTQIGUTN-INIZCTEOSA-N |