N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Compound characteristics
| Compound ID: | K284-5828 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide |
| Molecular Weight: | 640.76 |
| Molecular Formula: | C32 H40 N4 O8 S |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCC2CCCO2)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0611 |
| logD: | 2.0611 |
| logSw: | -2.9396 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.564 |
| InChI Key: | HGVBQRBYMZEPHX-JOCHJYFZSA-N |