1-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one
Chemical Structure Depiction of
1-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one
1-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one
Compound characteristics
| Compound ID: | K297-1023 |
| Compound Name: | 1-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexan-1-one |
| Molecular Weight: | 518.6 |
| Molecular Formula: | C26 H29 F3 N4 O2 S |
| Smiles: | C(CCC(N1CCC(CC1)(c1cccc(c1)C(F)(F)F)O)=O)CCNC1c2ccccc2NC(N=1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.5576 |
| logD: | 2.4598 |
| logSw: | -3.8639 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.13 |
| InChI Key: | YMPQATFOPIJVNZ-UHFFFAOYSA-N |