2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K284-6932 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 560.63 |
| Molecular Formula: | C29 H28 N4 O6 S |
| Smiles: | COc1ccc(cc1)NC(CSC1=Nc2ccc(cc2C(N1Cc1ccc2c(c1)OCO2)=O)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8755 |
| logD: | 3.8755 |
| logSw: | -3.9929 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.941 |
| InChI Key: | SIMKJAUXNXFNQH-UHFFFAOYSA-N |