5-{[(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0158 |
| Compound Name: | 5-{[(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C20 H19 F N4 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CSCC(NCc2cccc(c2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3801 |
| logD: | 3.38 |
| logSw: | -3.8542 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.073 |
| InChI Key: | QBTHYBIHIYBZFG-UHFFFAOYSA-N |