N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Compound characteristics
| Compound ID: | K284-5830 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide |
| Molecular Weight: | 636.72 |
| Molecular Formula: | C32 H36 N4 O8 S |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCc2ccco2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3563 |
| logD: | 3.3563 |
| logSw: | -3.6661 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.659 |
| InChI Key: | GDGOVRIKQDLZRR-UHFFFAOYSA-N |