Base information
| Cat. No. | |
| CAS No. | 1040250-19-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C48H50N12O5 |
| Molecular Weight | 874.988 |
| Exact Mass | 874.403 |
| XLogP3 | 7.7931 |
| Mr | 243.733 |
| PSA | 228.39 |
| Sequence | - |
| Atom number | 115 |
| Bond number | 122 |
| Ring number | 8 |
| Rotor number | 18 |
| Residues number | 0 |
| Canonical smiles | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)C(OC(=O)c1n(Cc2ccc(cc2)c2ccccc2c2n[nH]nn2)c(nc1C(O)(C)C)CCC)(C)C |
