methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2835 |
| Compound Name: | methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C23 H20 F N5 O3 S |
| Smiles: | Cc1cc(C)nc(NN2C(=Nc3cc(ccc3C2=O)C(=O)OC)SCc2cccc(c2)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3759 |
| logD: | 3.3758 |
| logSw: | -3.7345 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.486 |
| InChI Key: | FLRBWUVJLXGYGT-UHFFFAOYSA-N |