7-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
7-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
7-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-6026 |
| Compound Name: | 7-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 495.55 |
| Molecular Formula: | C25 H25 N3 O6 S |
| Smiles: | CC1CCCCN1C(CSC1=Nc2cc3c(cc2C(N1Cc1ccc2c(c1)OCO2)=O)OCO3)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1933 |
| logD: | 4.1933 |
| logSw: | -4.2621 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.679 |
| InChI Key: | SUORGWHDGSHGDV-HNNXBMFYSA-N |