1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one
Chemical Structure Depiction of
1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one
1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one
Compound characteristics
| Compound ID: | C082-0989 |
| Compound Name: | 1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one |
| Molecular Weight: | 456.57 |
| Molecular Formula: | C22 H31 F3 N4 O S |
| Smiles: | CC1CC(C)(C)NC(N1CCCC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2306 |
| logD: | 3.2306 |
| logSw: | -3.5772 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.628 |
| InChI Key: | FLKJFAAPXDYLOU-INIZCTEOSA-N |