methyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoate
Chemical Structure Depiction of
methyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoate
methyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoate
Compound characteristics
| Compound ID: | 3795-0566 |
| Compound Name: | methyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoate |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C25 H25 N O4 |
| Smiles: | CCCCC(C(=O)OC)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8875 |
| logD: | 3.8875 |
| logSw: | -4.0982 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.432 |
| InChI Key: | JFZDTEUQUDYWFZ-UHFFFAOYSA-N |