4-[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-5689 |
| Compound Name: | 4-[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 610.73 |
| Molecular Formula: | C31 H38 N4 O7 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NC2CCCCC2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8102 |
| logD: | 2.8102 |
| logSw: | -3.4765 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.635 |
| InChI Key: | BJKZIGQNCXZBMX-UHFFFAOYSA-N |