4-(1-formyl-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)phenyl acetate
Chemical Structure Depiction of
4-(1-formyl-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)phenyl acetate
4-(1-formyl-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)phenyl acetate
Compound characteristics
| Compound ID: | 3406-0577 |
| Compound Name: | 4-(1-formyl-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)phenyl acetate |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C27 H19 N O5 |
| Smiles: | CC(=O)Oc1ccc(cc1)N1C(C2C3c4ccccc4C(C=O)(C2C1=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6662 |
| logD: | 2.6661 |
| logSw: | -3.3352 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.36 |
| InChI Key: | ARFGBDSTJQRUPC-UHFFFAOYSA-N |