5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-1090 |
| Compound Name: | 5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C21 H28 F N5 O2 S |
| Smiles: | C1CCCN(CC1)CCCNC(CCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.286 |
| logD: | -0.3426 |
| logSw: | -2.9409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.684 |
| InChI Key: | DJZHGEUDZMWBOL-UHFFFAOYSA-N |