5-[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethoxy)methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethoxy)methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethoxy)methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0935 |
| Compound Name: | 5-[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethoxy)methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CC(CCNC(COCc1nnc(C(Nc2ccccc2)=O)s1)=O)N1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8693 |
| logD: | -1.1211 |
| logSw: | -2.4179 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.776 |
| InChI Key: | DJOHSGOIIJXIRI-KRWDZBQOSA-N |