Base information
| Cat. No. | |
| CAS No. | 2047352-92-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C98H90N4O2S4 |
| Molecular Weight | 1484.05 |
| Exact Mass | 1482.59 |
| XLogP3 | 26.8513 |
| Mr | 457.229 |
| PSA | 242.26 |
| Sequence | - |
| Atom number | 198 |
| Bond number | 212 |
| Ring number | 15 |
| Rotor number | 26 |
| Residues number | 0 |
| Canonical smiles | CCCCCCc1ccc(cc1)C1(c2ccc(cc2)CCCCCC)c2cc3-c4sc5c(c4C(c3cc2-c2c1c1sc(cc1s2)C=C1C(=C(C#N)C#N)c2c(C1=O)cc(c(c2)C)C)(c1ccc(cc1)CCCCCC)c1ccc(cc1)CCCCCC)sc(c5)C=C1C(=C(C#N)C#N)c2c(C1=O)cc(c(c2)C)C |
