5-[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethoxy)methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethoxy)methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethoxy)methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0829 |
| Compound Name: | 5-[(2-{[(3-methylphenyl)methyl]amino}-2-oxoethoxy)methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | Cc1cccc(CNC(COCc2nnc(C(Nc3ccccc3)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7042 |
| logD: | 2.7041 |
| logSw: | -3.1537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.963 |
| InChI Key: | CSXGAVPPYAEDFU-UHFFFAOYSA-N |