3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-3236 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | CCC1CCCCN1C(CSC1=Nc2ccccc2C(N1CC1COc2ccccc2O1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8169 |
| logD: | 3.8169 |
| logSw: | -3.9083 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.489 |
| InChI Key: | BAJIUDZUEBZCRS-UHFFFAOYSA-N |