1-acetyl-17-(2H-1,3-benzodioxol-5-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Chemical Structure Depiction of
1-acetyl-17-(2H-1,3-benzodioxol-5-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
1-acetyl-17-(2H-1,3-benzodioxol-5-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Compound characteristics
| Compound ID: | 8009-7460 |
| Compound Name: | 1-acetyl-17-(2H-1,3-benzodioxol-5-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C27 H19 N O5 |
| Smiles: | CC(C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2365 |
| logD: | 3.2364 |
| logSw: | -3.5942 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.392 |
| InChI Key: | OBXZXHFSTBKDDH-UHFFFAOYSA-N |