7-{[6,7-dimethoxy-2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-{[6,7-dimethoxy-2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
7-{[6,7-dimethoxy-2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0028 |
| Compound Name: | 7-{[6,7-dimethoxy-2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 544.56 |
| Molecular Formula: | C30 H28 N2 O8 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(c1ccc(C)c(c1)[N+]([O-])=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3021 |
| logD: | 4.3021 |
| logSw: | -4.4181 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.061 |
| InChI Key: | OVGZJWFIWHGAKK-VWLOTQADSA-N |