5-(4-{[(3-methoxyphenyl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[(3-methoxyphenyl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(4-{[(3-methoxyphenyl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0669 |
| Compound Name: | 5-(4-{[(3-methoxyphenyl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | COc1cccc(CNC(CCCc2nnc(C(Nc3ccccc3)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7353 |
| logD: | 2.7352 |
| logSw: | -3.3724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.073 |
| InChI Key: | VHRZJJJERGDMNI-UHFFFAOYSA-N |