2-[(2E)-2-{[17-(4-bromophenyl)-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-1-yl]methylidene}hydrazinyl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide
Chemical Structure Depiction of
2-[(2E)-2-{[17-(4-bromophenyl)-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-1-yl]methylidene}hydrazinyl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide
2-[(2E)-2-{[17-(4-bromophenyl)-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-1-yl]methylidene}hydrazinyl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide
Compound characteristics
| Compound ID: | 8004-5583 |
| Compound Name: | 2-[(2E)-2-{[17-(4-bromophenyl)-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-1-yl]methylidene}hydrazinyl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide |
| Molecular Weight: | 647.53 |
| Molecular Formula: | C35 H27 Br N4 O4 |
| Smiles: | Cc1ccc(CNC(C(N/N=C/C23C4C(C(c5ccccc25)c2ccccc23)C(N(C4=O)c2ccc(cc2)[Br])=O)=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2959 |
| logD: | 5.1411 |
| logSw: | -5.3755 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.45 |
| InChI Key: | VOUOSPBZERZEDC-UHFFFAOYSA-N |