2-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | K807-4124 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 443.41 |
| Molecular Formula: | C24 H17 N3 O6 |
| Smiles: | C1CN(Cc2ccccc12)c1ccc(cc1[N+]([O-])=O)N1C(c2ccc(cc2C1=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3889 |
| logD: | 0.4113 |
| logSw: | -4.2934 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.182 |
| InChI Key: | RIEZXZMWZWGOHG-UHFFFAOYSA-N |