AC1MQ9XT
[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
Also Known As: F0630-1923|2-{[(3-nitrophenyl)methyl]sulfanyl}-1-[4-(pyrrolidine-1-sulfonyl)benzoyl]-4,5-dihydro-1H-imidazole|(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone|[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
| Molecular Formula | C21H22N4O5S2 |
|---|---|
| Molecular Weight | 474.10315 g/mol |
| LogP | 3.1245 |
| Topological Polar Surface Area | 113.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.10315 |
| Monoisotopic Mass | 474.10315 |
| Heavy Atoms | 32 |
| Complexity | 1158.9674 |
Chemical Identifiers
| CAS Number | 851808-87-2 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN=C3SCC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
AC1MQ9XT (CAS 851808-87-2), with molecular formula C21H22N4O5S2 and molecular weight 474.10315 g/mol. IUPAC: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
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