methyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2837 |
| Compound Name: | methyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C26 H25 N5 O5 S |
| Smiles: | CC(c1ccc(c(CSC2=Nc3cc(ccc3C(N2Nc2nc(C)cc(C)n2)=O)C(=O)OC)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9341 |
| logD: | 2.934 |
| logSw: | -3.3973 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.943 |
| InChI Key: | UBBXJFPZBYFMSE-UHFFFAOYSA-N |