N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-5698 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide |
| Molecular Weight: | 608.67 |
| Molecular Formula: | C30 H32 N4 O8 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCc2ccco2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3462 |
| logD: | 2.3462 |
| logSw: | -3.022 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.659 |
| InChI Key: | RTUDHLYIECCLDT-UHFFFAOYSA-N |