2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | K297-1134 |
| Compound Name: | 2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 530.59 |
| Molecular Formula: | C24 H21 F3 N6 O S2 |
| Smiles: | C(C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)c1csc(NC2c3ccccc3NC(N=2)=S)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7126 |
| logD: | 2.058 |
| logSw: | -4.6053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.663 |
| InChI Key: | JXVXAPGFAMTKIN-UHFFFAOYSA-N |