HuagongsheHuagongshe Chemistry Print Report · For research reference only
JNJ-40929837 succinate
Identifiers & Physical Properties
| CAS No. | 1191044-47-9 |
|---|---|
| Molecular formula | C26H30N4O6S |
| Average molar mass | 526.6 g/mol |
| Monoisotopic mass | 526.18860586 g/mol |
| SMILES | CC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1.O=C(O)CCC(=O)O |
| InChIKey | ASCCNTPYAKLKGG-KUZYQSSXSA-N |
| PubChem CID | 67201213 |
Chemical & Physical Properties
| Topological polar surface area | 170 |
|---|---|
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 8 |
| Heavy atoms | 37 |
| Formal charge | 0 |
| Complexity | 664 |