2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4-fluorophenyl)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-fluorophenyl)acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | K284-6933 |
| 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-fluorophenyl)acetamide |
| Molecular Weight: | 548.59 |
| Molecular Formula: | C28 H25 F N4 O5 S |
| Smiles: | C1COCCN1c1ccc2c(c1)C(N(Cc1ccc3c(c1)OCO3)C(=N2)SCC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9222 |
| logD: | 3.9221 |
| logSw: | -4.052 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.397 |
| InChI Key: | JPPYZSSFSZECGM-UHFFFAOYSA-N |