methyl 3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0078 |
| Compound Name: | methyl 3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 441.52 |
| Molecular Formula: | C23 H24 F N3 O3 S |
| Smiles: | COC(c1ccc2C(N(CC3CCN(CC3)Cc3ccccc3F)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5258 |
| logD: | 2.6183 |
| logSw: | -4.2604 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.224 |
| InChI Key: | XTMKMDAXUUKRJE-UHFFFAOYSA-N |