17-(4-butoxyphenyl)-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-(4-butoxyphenyl)-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-(4-butoxyphenyl)-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: | 3773-3664 |
| Compound Name: | 17-(4-butoxyphenyl)-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: | 453.54 |
| Molecular Formula: | C29 H27 N O4 |
| Smiles: | CCCCOc1ccc(cc1)N1C(C2C3c4ccccc4C(CO)(C2C1=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3571 |
| logD: | 4.3571 |
| logSw: | -4.3154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.982 |
| InChI Key: | SABCYQXMRZXWBL-UHFFFAOYSA-N |