5-(4-{[3-(azepan-1-yl)propyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[3-(azepan-1-yl)propyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[3-(azepan-1-yl)propyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0539 |
| Compound Name: | 5-(4-{[3-(azepan-1-yl)propyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 464.03 |
| Molecular Formula: | C22 H30 Cl N5 O2 S |
| Smiles: | C1CCCN(CC1)CCCNC(CCCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2228 |
| logD: | 0.5942 |
| logSw: | -3.6791 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.684 |
| InChI Key: | QTKACKCQONHTDS-UHFFFAOYSA-N |