17-(2,4-dimethylphenyl)-1-(hydroxymethyl)-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-(2,4-dimethylphenyl)-1-(hydroxymethyl)-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-(2,4-dimethylphenyl)-1-(hydroxymethyl)-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: | 3406-0974 |
| Compound Name: | 17-(2,4-dimethylphenyl)-1-(hydroxymethyl)-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: | 409.48 |
| Molecular Formula: | C27 H23 N O3 |
| Smiles: | Cc1ccc(c(C)c1)N1C(C2C3c4ccccc4C(CO)(C2C1=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0681 |
| logD: | 4.0681 |
| logSw: | -4.3213 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.264 |
| InChI Key: | CTOXGDUXEDQHHP-UHFFFAOYSA-N |