(isoquinolin-1-yl)(4-methoxyphenyl)methyl 3-nitrobenzoate
Chemical Structure Depiction of
(isoquinolin-1-yl)(4-methoxyphenyl)methyl 3-nitrobenzoate
(isoquinolin-1-yl)(4-methoxyphenyl)methyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 7706-0130 |
| Compound Name: | (isoquinolin-1-yl)(4-methoxyphenyl)methyl 3-nitrobenzoate |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C24 H18 N2 O5 |
| Smiles: | COc1ccc(cc1)C(c1c2ccccc2ccn1)OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4572 |
| logD: | 5.4571 |
| logSw: | -6.3853 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.573 |
| InChI Key: | LVWRWWYJZNDQQN-QHCPKHFHSA-N |