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| Duplicate ID | |
|---|---|
| Smiles | CCN(c1ccc(cc1)/C=C(\C(=O)N/N=C/c1c(O)c(C)c(c(c1C)Br)O)/NC(=O)c1ccccc1)CC |
| Cas Number | |
| InchiKey | JSQCHSDRLSEHBB-UKJKVWPFSA-N |
| InChi | InChI=1S/C29H31BrN4O4/c1-5-34(6-2)22-14-12-20(13-15-22)16-24(32-28(37)21-10-8-7-9-11-21)29(38)33-31-17-23-18(3)25(30)27(36)19(4)26(23)35/h7-17,35-36H,5-6H2,1-4H3,(H,32,37)(H,33,38)/b24-16+,31-17+ |
| Formula | C29H31BrN4O4 |
| Molecular weight | 579.485 |
| Rings | 3 |
| logP | 6.0263 |
| PSA | 114.26 |
| MR | 155.337 |