N-(2-methylphenyl)-5-{[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-{[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-{[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1111 |
| Compound Name: | N-(2-methylphenyl)-5-{[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C21 H22 N4 O2 S2 |
| Smiles: | Cc1cccc(CNC(CSCc2nnc(C(Nc3ccccc3C)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9152 |
| logD: | 3.9151 |
| logSw: | -3.8964 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.831 |
| InChI Key: | NDUKEJBJMMMJPO-UHFFFAOYSA-N |