5-{[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0772 |
| Compound Name: | 5-{[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C20 H20 N4 O3 S2 |
| Smiles: | COc1cccc(CNC(CSCc2nnc(C(Nc3ccccc3)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1392 |
| logD: | 3.1392 |
| logSw: | -3.5966 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.073 |
| InChI Key: | YCRZDFOKRZPYHE-UHFFFAOYSA-N |