methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-ethoxyanilino)-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-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
Compound ID: | K289-0492 |
Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
Molecular Weight: | 547.59 |
Molecular Formula: | C28 H25 N3 O7 S |
Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2cc(ccc2C(N1Cc1ccc2c(c1)OCO2)=O)C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.6972 |
logD: | 4.6972 |
logSw: | -4.4247 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.333 |
InChI Key: | CLUNJBXVJYRQFL-UHFFFAOYSA-N |