N-(4-fluorophenyl)-5-{[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-5-{[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-fluorophenyl)-5-{[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0595 |
| Compound Name: | N-(4-fluorophenyl)-5-{[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C20 H19 F N4 O3 S2 |
| Smiles: | COc1ccccc1CNC(CSCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.484 |
| logD: | 3.4813 |
| logSw: | -3.7908 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.159 |
| InChI Key: | ZCPPIJSPVSNKDZ-UHFFFAOYSA-N |