(isoquinolin-1-yl)(phenyl)methyl 3-nitrobenzoate
Chemical Structure Depiction of
(isoquinolin-1-yl)(phenyl)methyl 3-nitrobenzoate
(isoquinolin-1-yl)(phenyl)methyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 7706-0124 |
| Compound Name: | (isoquinolin-1-yl)(phenyl)methyl 3-nitrobenzoate |
| Molecular Weight: | 384.39 |
| Molecular Formula: | C23 H16 N2 O4 |
| Smiles: | c1ccc(cc1)C(c1c2ccccc2ccn1)OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4791 |
| logD: | 5.4791 |
| logSw: | -6.7093 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.029 |
| InChI Key: | CDZJZVDYUILCKW-QFIPXVFZSA-N |