3-(1,8-dimethyl-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
3-(1,8-dimethyl-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
3-(1,8-dimethyl-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: | 2360-0429 |
| Compound Name: | 3-(1,8-dimethyl-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: | 437.49 |
| Molecular Formula: | C28 H23 N O4 |
| Smiles: | CC(=O)Oc1cccc(c1)N1C(C2C(C1=O)C1(C)c3ccccc3C2(C)c2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4029 |
| logD: | 3.4029 |
| logSw: | -3.8616 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.201 |
| InChI Key: | LYKTVRGFVSUHIC-UHFFFAOYSA-N |