1-[7-(acetyloxy)-4-oxo-4H-1-benzopyran-3-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Chemical Structure Depiction of
1-[7-(acetyloxy)-4-oxo-4H-1-benzopyran-3-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1-[7-(acetyloxy)-4-oxo-4H-1-benzopyran-3-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Compound characteristics
| Compound ID: | 5490-0006 |
| Compound Name: | 1-[7-(acetyloxy)-4-oxo-4H-1-benzopyran-3-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| Molecular Weight: | 418.4 |
| Molecular Formula: | C23 H18 N2 O6 |
| Smiles: | CC(=O)Oc1ccc2C(C(=COc2c1)C1c2c(CC(C(O)=O)N1)c1ccccc1[nH]2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1178 |
| logD: | -1.5563 |
| logSw: | -2.5075 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.852 |
| InChI Key: | QLPUCPGOPUIEDP-UHFFFAOYSA-N |