5-{[(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1022 |
| Compound Name: | 5-{[(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C21 H21 F N4 O3 S2 |
| Smiles: | CCOc1ccc(CNC(CSCc2nnc(C(Nc3cccc(c3)F)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.756 |
| logD: | 3.7527 |
| logSw: | -3.8874 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.652 |
| InChI Key: | GYTPWYMCTJTXHG-UHFFFAOYSA-N |