2-(3-nitrophenyl)-2-oxoethyl 3-(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
2-(3-nitrophenyl)-2-oxoethyl 3-(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
2-(3-nitrophenyl)-2-oxoethyl 3-(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: | 2054-0824 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl 3-(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: | 558.55 |
| Molecular Formula: | C33 H22 N2 O7 |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)OC(c1cccc(c1)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8502 |
| logD: | 4.8502 |
| logSw: | -5.1001 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.936 |
| InChI Key: | WDCFRLSGQMGCAM-UHFFFAOYSA-N |