3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-6926 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 505.57 |
| Molecular Formula: | C27 H24 F N3 O4 S |
| Smiles: | C1COCCN1c1ccc2c(c1)C(N(Cc1ccc3c(c1)OCO3)C(=N2)SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2467 |
| logD: | 4.2467 |
| logSw: | -4.2915 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.248 |
| InChI Key: | OQPPXCVGTWHIBJ-UHFFFAOYSA-N |