4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-fluorophenyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-fluorophenyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-fluorophenyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F369-0406 |
| Compound Name: | 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-fluorophenyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one |
| Molecular Weight: | 543.68 |
| Molecular Formula: | C30 H26 F N3 O2 S2 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(CN1C2=C(c3cccc(c3)F)SC(N2c2ccccc2C1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.975 |
| logD: | 5.975 |
| logSw: | -6.1014 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 33.909 |
| InChI Key: | PNMYSMJJCXLTCY-UHFFFAOYSA-N |