methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2,4-dimethoxyanilino)-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-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2022 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 563.59 |
| Molecular Formula: | C28 H25 N3 O8 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC(Nc1ccc(cc1OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0734 |
| logD: | 4.0734 |
| logSw: | -4.3091 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.686 |
| InChI Key: | RANMUUPBVKNAAP-UHFFFAOYSA-N |