5-(4-{[(2-bromophenyl)methyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[(2-bromophenyl)methyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[(2-bromophenyl)methyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0129 |
| Compound Name: | 5-(4-{[(2-bromophenyl)methyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 489.39 |
| Molecular Formula: | C21 H21 Br N4 O3 S |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CCCC(NCc2ccccc2[Br])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6841 |
| logD: | 3.684 |
| logSw: | -4.0145 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.073 |
| InChI Key: | LMAQKPLTIFPLLL-UHFFFAOYSA-N |