4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-phenyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-phenyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-phenyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F369-0125 |
| Compound Name: | 4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-phenyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one |
| Molecular Weight: | 530.64 |
| Molecular Formula: | C28 H23 F N4 O2 S2 |
| Smiles: | C1CN(CCN1C(CN1C2=C(c3ccccc3)SC(N2c2ccccc2C1=O)=S)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.6551 |
| logD: | 4.655 |
| logSw: | -4.6461 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 37.14 |
| InChI Key: | SMLHVLCKRAFAGV-UHFFFAOYSA-N |