5-{[(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0146 |
| Compound Name: | 5-{[(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C22 H24 N4 O4 S2 |
| Smiles: | CCOc1ccc(CNC(CSCc2nnc(C(Nc3ccc(cc3)OC)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.585 |
| logD: | 3.5849 |
| logSw: | -3.7193 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.196 |
| InChI Key: | ZMSJMKIOZWPECK-UHFFFAOYSA-N |