N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | V024-8269 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-({[4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carboxamide |
| Molecular Weight: | 606.7 |
| Molecular Formula: | C31 H34 N4 O7 S |
| Salt: | not_available |
| Smiles: | CN(CCc1ccc(c(c1)OC)OC)c1cc(COC)nc(n1)SCc1ccc(C(NCc2ccc3c(c2)OCO3)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7783 |
| logD: | 4.7768 |
| logSw: | -4.554 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.207 |
| InChI Key: | OQOPJCWZYKNFAA-UHFFFAOYSA-N |