5-(4-{[3-(azepan-1-yl)butyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[3-(azepan-1-yl)butyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[3-(azepan-1-yl)butyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0565 |
| Compound Name: | 5-(4-{[3-(azepan-1-yl)butyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 478.06 |
| Molecular Formula: | C23 H32 Cl N5 O2 S |
| Smiles: | CC(CCNC(CCCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O)N1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4369 |
| logD: | 0.4465 |
| logSw: | -3.8583 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.342 |
| InChI Key: | WFEZQOPAPWCOJL-KRWDZBQOSA-N |