1-(hydroxymethyl)-17-(4-iodophenyl)-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-iodophenyl)-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-iodophenyl)-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: | 8008-7595 |
| Compound Name: | 1-(hydroxymethyl)-17-(4-iodophenyl)-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: | 507.33 |
| Molecular Formula: | C25 H18 I N O3 |
| Smiles: | C(C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc(cc1)I)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1354 |
| logD: | 4.1354 |
| logSw: | -4.3367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.565 |
| InChI Key: | CNBICHFMGARDMR-UHFFFAOYSA-N |