5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-1093 |
| Compound Name: | 5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C20 H26 F N5 O2 S |
| Smiles: | C1CCCN(CC1)CCNC(CCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1628 |
| logD: | 0.464 |
| logSw: | -2.8684 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.684 |
| InChI Key: | FGYMLJIYWVCNDI-UHFFFAOYSA-N |