7-[2-(cyclohex-1-en-1-yl)ethyl]-6-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
7-[2-(cyclohex-1-en-1-yl)ethyl]-6-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
7-[2-(cyclohex-1-en-1-yl)ethyl]-6-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5990 |
| Compound Name: | 7-[2-(cyclohex-1-en-1-yl)ethyl]-6-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C26 H33 N3 O4 S |
| Smiles: | CC1CC(C)CN(C1)C(CSC1=Nc2cc3c(cc2C(N1CCC1CCCCC=1)=O)OCO3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2663 |
| logD: | 5.2663 |
| logSw: | -5.2082 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.316 |
| InChI Key: | XWTUWNVZGRORBZ-UHFFFAOYSA-N |