1-(hydroxymethyl)-17-(4-iodo-2-methylphenyl)-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-(hydroxymethyl)-17-(4-iodo-2-methylphenyl)-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-(hydroxymethyl)-17-(4-iodo-2-methylphenyl)-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: | 3406-0986 |
| Compound Name: | 1-(hydroxymethyl)-17-(4-iodo-2-methylphenyl)-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: | 521.35 |
| Molecular Formula: | C26 H20 I N O3 |
| Smiles: | Cc1cc(ccc1N1C(C2C3c4ccccc4C(CO)(C2C1=O)c1ccccc13)=O)I |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9627 |
| logD: | 4.9627 |
| logSw: | -4.6365 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.264 |
| InChI Key: | ZGPOKZMJMOJFCI-UHFFFAOYSA-N |