3-[(4-chlorophenyl)methyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3958 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-2-{[(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 570.04 |
| Molecular Formula: | C28 H25 Cl F N3 O5 S |
| Smiles: | COCCNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(=Nc2c1)SCc1cc(cc2COCOc12)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8677 |
| logD: | 4.8677 |
| logSw: | -4.8208 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.529 |
| InChI Key: | SMAUADYYFQESPG-UHFFFAOYSA-N |