5-(4-{[2-(azepan-1-yl)ethyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[2-(azepan-1-yl)ethyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(4-{[2-(azepan-1-yl)ethyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0733 |
| Compound Name: | 5-(4-{[2-(azepan-1-yl)ethyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C21 H29 N5 O2 S |
| Smiles: | C1CCCN(CC1)CCNC(CCCc1nnc(C(Nc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1544 |
| logD: | 0.4556 |
| logSw: | -2.693 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.684 |
| InChI Key: | HLCXFWGUVIKSHX-UHFFFAOYSA-N |