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)ethyl 2-nitrobenzoate
Chemical Structure Depiction of
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)ethyl 2-nitrobenzoate
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)ethyl 2-nitrobenzoate
Compound characteristics
| Compound ID: | 0934-1171 |
| Compound Name: | 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)ethyl 2-nitrobenzoate |
| Molecular Weight: | 468.47 |
| Molecular Formula: | C27 H20 N2 O6 |
| Smiles: | C(COC(c1ccccc1[N+]([O-])=O)=O)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6119 |
| logD: | 3.6119 |
| logSw: | -3.9795 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.168 |
| InChI Key: | QKYDRODIOMYXTD-UHFFFAOYSA-N |