methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-methoxyanilino)-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-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2018 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 533.56 |
| Molecular Formula: | C27 H23 N3 O7 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC(Nc1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3947 |
| logD: | 4.3946 |
| logSw: | -4.2935 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.754 |
| InChI Key: | SZDXDTMMYMNTFL-UHFFFAOYSA-N |