Relcovaptan
(2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]pyrrolidine-2-carboxamide
| Molecular Formula | C28H27Cl2N3O7S |
|---|---|
| Molecular Weight | 620.5 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 148.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 619.09467 |
| Heavy Atoms | 41 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 150375-75-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCCC5C(=O)N)OC |
| InChIKey | CEBYCSRFKCEUSW-NAYZPBBASA-N |
📖 Product Overview
Relcovaptan (CAS: 150375-75-0) is a chemical compound with molecular formula C28H27Cl2N3O7S and molecular weight 620.5 g/mol. Its IUPAC systematic name is (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]pyrrolidine-2-carboxamide.
CEBYCSRFKCEUSW-NAYZPBBASA-N.
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCCC5C(=O)N)OC.
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