methyl 3-(1-formyl-8-methyl-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)benzoate
Chemical Structure Depiction of
methyl 3-(1-formyl-8-methyl-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)benzoate
methyl 3-(1-formyl-8-methyl-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)benzoate
Compound characteristics
| Compound ID: | 8009-4032 |
| Compound Name: | methyl 3-(1-formyl-8-methyl-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)benzoate |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C28 H21 N O5 |
| Smiles: | CC12C3C(C(N(C3=O)c3cccc(c3)C(=O)OC)=O)C(C=O)(c3ccccc13)c1ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.392 |
| logD: | 3.3919 |
| logSw: | -3.7906 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.783 |
| InChI Key: | DLWHSWMQKUVFPL-UHFFFAOYSA-N |