17-(4-bromophenyl)-1-{(E)-[(2-hydroxyethyl)imino]methyl}-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
17-(4-bromophenyl)-1-{(E)-[(2-hydroxyethyl)imino]methyl}-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
17-(4-bromophenyl)-1-{(E)-[(2-hydroxyethyl)imino]methyl}-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: | 8004-5649 |
| Compound Name: | 17-(4-bromophenyl)-1-{(E)-[(2-hydroxyethyl)imino]methyl}-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: | 501.38 |
| Molecular Formula: | C27 H21 Br N2 O3 |
| Smiles: | C(CO)/N=C/C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8775 |
| logD: | 3.8772 |
| logSw: | -4.0382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.88 |
| InChI Key: | AEYFYHAONZYIHO-UHFFFAOYSA-N |