N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-bromophenyl)carbamoyl]isoleucinamide
Chemical Structure Depiction of
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-bromophenyl)carbamoyl]isoleucinamide
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-bromophenyl)carbamoyl]isoleucinamide
Compound characteristics
| Compound ID: | V015-3596 |
| Compound Name: | N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-bromophenyl)carbamoyl]isoleucinamide |
| Molecular Weight: | 532.41 |
| Molecular Formula: | C22 H22 Br N5 O4 S |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)NC(Nc1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7095 |
| logD: | 5.7092 |
| logSw: | -5.4205 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.967 |
| InChI Key: | OZGIQKWGBKYIRQ-UHFFFAOYSA-N |