5-(4-{[(2-bromophenyl)methyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[(2-bromophenyl)methyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[(2-bromophenyl)methyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0516 |
| Compound Name: | 5-(4-{[(2-bromophenyl)methyl]amino}-4-oxobutyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 493.81 |
| Molecular Formula: | C20 H18 Br Cl N4 O2 S |
| Smiles: | C(CC(NCc1ccccc1[Br])=O)Cc1nnc(C(Nc2cccc(c2)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4553 |
| logD: | 4.452 |
| logSw: | -4.5128 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.529 |
| InChI Key: | WVQQUVADKUHEPI-UHFFFAOYSA-N |