6-(morpholin-4-yl)-3-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-(morpholin-4-yl)-3-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-(morpholin-4-yl)-3-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6425 |
| Compound Name: | 6-(morpholin-4-yl)-3-(6-oxo-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 589.68 |
| Molecular Formula: | C29 H34 F3 N5 O3 S |
| Smiles: | C(CCC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)CCN1C(c2cc(ccc2NC1=S)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.092 |
| logD: | 4.0903 |
| logSw: | -4.0944 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.31 |
| InChI Key: | RWQRGZPPNLJVET-UHFFFAOYSA-N |