3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-6928 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 550.68 |
| Molecular Formula: | C29 H34 N4 O5 S |
| Smiles: | CC1CC(C)CN(C1)C(CSC1=Nc2ccc(cc2C(N1Cc1ccc2c(c1)OCO2)=O)N1CCOCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0712 |
| logD: | 4.0712 |
| logSw: | -4.144 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.507 |
| InChI Key: | IYQGTOHHXMUPAE-UHFFFAOYSA-N |