7-[2-(cyclohex-1-en-1-yl)ethyl]-6-{[2-(4-methylpiperidin-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-(4-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5103 |
| Compound Name: | 7-[2-(cyclohex-1-en-1-yl)ethyl]-6-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C25 H31 N3 O4 S |
| Smiles: | CC1CCN(CC1)C(CSC1=Nc2cc3c(cc2C(N1CCC1CCCCC=1)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6814 |
| logD: | 4.6814 |
| logSw: | -4.4492 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.45 |
| InChI Key: | GCJQEUYQQBMTLQ-UHFFFAOYSA-N |