Base information
| Cat. No. | |
| CAS No. | 623946-74-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C30H32Cl2N4O10S2 |
| Molecular Weight | 743.632 |
| Exact Mass | 742.094 |
| XLogP3 | 5.0692 |
| Mr | 191.937 |
| PSA | 256.4 |
| Sequence | - |
| Atom number | 80 |
| Bond number | 82 |
| Ring number | 5 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCC1=C(C)C2=N/C/1=C\c1[nH]c(c(c1CCC(=O)O)C)/C=C/1\N=C(/C=c/3\[nH]/c(=C\2)/c(C)c3S(=O)(=O)O)C(=C1S(=O)(=O)O)C.Cl.Cl |
