methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2030 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 602.67 |
| Molecular Formula: | C31 H30 N4 O7 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC(N1CCN(CC1)c1ccccc1OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2271 |
| logD: | 4.227 |
| logSw: | -4.2129 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.043 |
| InChI Key: | VWXRXQAQOMAMEI-UHFFFAOYSA-N |