methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-chloro-4-methylanilino)-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-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2023 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 552 |
| Molecular Formula: | C27 H22 Cl N3 O6 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2cc(ccc2C(N1Cc1ccc2c(c1)OCO2)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7184 |
| logD: | 5.7183 |
| logSw: | -5.9019 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.21 |
| InChI Key: | HALHUNYNPSMRTO-UHFFFAOYSA-N |