6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexan-1-one
Chemical Structure Depiction of
6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexan-1-one
6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexan-1-one
Compound characteristics
| Compound ID: | K297-1059 |
| Compound Name: | 6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexan-1-one |
| Molecular Weight: | 503.59 |
| Molecular Formula: | C25 H28 F3 N5 O S |
| Smiles: | C(CCC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)CCNC1c2ccccc2NC(N=1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.9912 |
| logD: | 2.8934 |
| logSw: | -4.1463 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.556 |
| InChI Key: | XKIKZJSIFAPTND-UHFFFAOYSA-N |