1-(3,4-dihydroquinolin-1(2H)-yl)-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
Compound characteristics
| Compound ID: | C071-0494 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one |
| Molecular Weight: | 549.57 |
| Molecular Formula: | C26 H26 F3 N3 O5 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)nc(n1)S(CCCC(N1CCCc2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4121 |
| logD: | 4.4121 |
| logSw: | -4.4007 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.17 |
| InChI Key: | VPBNNKNKJSYSDE-UHFFFAOYSA-N |