N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide
Chemical Structure Depiction of
N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide
N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide
Compound characteristics
| Compound ID: | V014-9118 |
| Compound Name: | N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide |
| Molecular Weight: | 624.4 |
| Molecular Formula: | C23 H20 Br F6 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2cccc(c2)[Br])s1)=O)NC(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.9209 |
| logD: | 7.9172 |
| logSw: | -5.7025 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.852 |
| InChI Key: | YTWFZFHSTJHCCI-UHFFFAOYSA-N |