methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-chloroanilino)-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-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2020 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 537.98 |
| Molecular Formula: | C26 H20 Cl N3 O6 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC(Nc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.379 |
| logD: | 4.3789 |
| logSw: | -4.4128 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.512 |
| InChI Key: | LKGGZTXGUGEESD-UHFFFAOYSA-N |