3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,6-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,6-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,6-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0618 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,6-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 438.45 |
| Molecular Formula: | C23 H16 F2 N2 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccccc2C1=O)SCc1c(cccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 4.8546 |
| logD: | 4.8546 |
| logSw: | -4.8588 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.887 |
| InChI Key: | TYBABPCGHQTACQ-UHFFFAOYSA-N |