N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | K284-5912 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)benzamide |
| Molecular Weight: | 660.75 |
| Molecular Formula: | C34 H36 N4 O8 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(=Nc4cc5c(cc4C3=O)OCO5)SCC(NCC3CCCO3)=O)cc2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8174 |
| logD: | 2.8174 |
| logSw: | -3.5366 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.528 |
| InChI Key: | MUCXEJWLZQNECO-XMMPIXPASA-N |