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)-N-(4-nitrophenyl)-3-phenylpropanamide
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)-N-(4-nitrophenyl)-3-phenylpropanamide
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)-N-(4-nitrophenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | 3795-0252 |
| 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)-N-(4-nitrophenyl)-3-phenylpropanamide |
| Molecular Weight: | 543.58 |
| Molecular Formula: | C33 H25 N3 O5 |
| Smiles: | C(C(C(Nc1ccc(cc1)[N+]([O-])=O)=O)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0919 |
| logD: | 5.0751 |
| logSw: | -5.3317 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.459 |
| InChI Key: | ITHYJZTURXOKBD-UHFFFAOYSA-N |