2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | K284-6029 |
| Compound Name: | 2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 507.5 |
| Molecular Formula: | C25 H18 F N3 O6 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6333 |
| logD: | 4.6332 |
| logSw: | -4.632 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.151 |
| InChI Key: | STIHYGHZZINWGJ-UHFFFAOYSA-N |