N-(4-fluorophenyl)-5-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-5-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
N-(4-fluorophenyl)-5-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0682 |
| Compound Name: | N-(4-fluorophenyl)-5-[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C19 H17 F N4 O3 S2 |
| Smiles: | COc1cccc(CNC(CSc2nnc(C(Nc3ccc(cc3)F)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2808 |
| logD: | 3.28 |
| logSw: | -3.668 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.938 |
| InChI Key: | KXBOKWAVRXUIRP-UHFFFAOYSA-N |