N-(4-methoxyphenyl)-5-{[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-5-{[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-methoxyphenyl)-5-{[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0065 |
| Compound Name: | N-(4-methoxyphenyl)-5-{[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C21 H22 N4 O3 S2 |
| Smiles: | Cc1cccc(CNC(CSCc2nnc(C(Nc3ccc(cc3)OC)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9045 |
| logD: | 3.9044 |
| logSw: | -4.0755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.073 |
| InChI Key: | QPSFOEJOGDUNEF-UHFFFAOYSA-N |