2-methylpropyl 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
2-methylpropyl 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
2-methylpropyl 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: | 3795-0568 |
| Compound Name: | 2-methylpropyl 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: | 445.56 |
| Molecular Formula: | C28 H31 N O4 |
| Smiles: | CCCCC(C(=O)OCC(C)C)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3361 |
| logD: | 5.3361 |
| logSw: | -5.3634 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.387 |
| InChI Key: | WGRSPVHLKPWJFB-UHFFFAOYSA-N |