6-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-[(4-methoxyphenyl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-[(4-methoxyphenyl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-[(4-methoxyphenyl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-6148 |
| Compound Name: | 6-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-7-[(4-methoxyphenyl)methyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | CC1CC(C)CN(C1)C(CSC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)OC)=O)OCO3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8935 |
| logD: | 4.8935 |
| logSw: | -4.6007 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.69 |
| InChI Key: | CMNLWBHTHWWDQU-UHFFFAOYSA-N |