2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K284-1944 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C25 H20 Cl N3 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4269 |
| logD: | 5.4268 |
| logSw: | -5.7747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.036 |
| InChI Key: | IMHVGRNRKARGEI-UHFFFAOYSA-N |