methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[ethyl(3-methylphenyl)amino]-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-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2027 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C29 H27 N3 O6 S |
| Smiles: | CCN(C(CSC1=Nc2cc(ccc2C(N1Cc1ccc2c(c1)OCO2)=O)C(=O)OC)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2577 |
| logD: | 5.2577 |
| logSw: | -5.058 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.152 |
| InChI Key: | JAIMOFJSJXQSEB-UHFFFAOYSA-N |