7-{[6,7-dimethoxy-2-(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-(3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
7-{[6,7-dimethoxy-2-(3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C199-0051 |
| Compound Name: | 7-{[6,7-dimethoxy-2-(3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 530.53 |
| Molecular Formula: | C29 H26 N2 O8 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC1c2cc(c(cc2CCN1C(c1cccc(c1)[N+]([O-])=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8998 |
| logD: | 3.8998 |
| logSw: | -4.1015 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.362 |
| InChI Key: | VKFVYTNOCPPBTD-DEOSSOPVSA-N |