5-(4-{[(5-bromo-2-methoxyphenyl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[(5-bromo-2-methoxyphenyl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(4-{[(5-bromo-2-methoxyphenyl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0751 |
| Compound Name: | 5-(4-{[(5-bromo-2-methoxyphenyl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 489.39 |
| Molecular Formula: | C21 H21 Br N4 O3 S |
| Smiles: | COc1ccc(cc1CNC(CCCc1nnc(C(Nc2ccccc2)=O)s1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5313 |
| logD: | 3.5312 |
| logSw: | -3.8584 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.159 |
| InChI Key: | GKAPAARYPOZIMI-UHFFFAOYSA-N |