5-(3-{[(3,4-dimethoxyphenyl)methyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[(3,4-dimethoxyphenyl)methyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-(3-{[(3,4-dimethoxyphenyl)methyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-1115 |
| Compound Name: | 5-(3-{[(3,4-dimethoxyphenyl)methyl]amino}-3-oxopropyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 444.48 |
| Molecular Formula: | C21 H21 F N4 O4 S |
| Smiles: | COc1ccc(CNC(CCc2nnc(C(Nc3ccc(cc3)F)=O)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2614 |
| logD: | 2.2586 |
| logSw: | -3.0787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.79 |
| InChI Key: | NMFNXLSTCNQACX-UHFFFAOYSA-N |