methyl 2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2084 |
| Compound Name: | methyl 2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C28 H32 N4 O6 S |
| Smiles: | COC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCC(N1CCN(CC1)c1ccccc1OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7986 |
| logD: | 2.7986 |
| logSw: | -3.319 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.581 |
| InChI Key: | HGPUYEMKLIYYJA-HXUWFJFHSA-N |