(r)-2,3,4,5-Tetrahydro-1-(1-(triphenylmethyl)-imidazol-4-ylmethyl)-4-(methylsulfonyl)-3-(phenylmethyl)-1h-1,4-benzodiazepine-7-carbonitrile

HCID 69842016

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Basic information

Standard SMILES: CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C[C@H]1Cc1ccccc1
InChIKey: NRCXBPYJJRUHLI-LDLOPFEMSA-N
Molecular formula: C41H37N5O2S
Average molar mass: 663.8 g/mol

Names & identifiers

Preferred name: (r)-2,3,4,5-Tetrahydro-1-(1-(triphenylmethyl)-imidazol-4-ylmethyl)-4-(methylsulfonyl)-3-(phenylmethyl)-1h-1,4-benzodiazepine-7-carbonitrile
IUPAC: (3R)-3-benzyl-4-methylsulfonyl-1-[(1-tritylimidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Names & synonyms

SCHEMBL6618150NRCXBPYJJRUHLI-LDLOPFEMSA-N(r)-2,3,4,5-tetrahydro-1-(1-(triphenylmethyl)-imidazol-4-ylmethyl)-4-(methylsulfonyl)-3-(phenylmethyl)-1h-1,4-benzodiazepine-7-carbonitrile

Database identifiers

PubChem CID: 69842016

Properties

Computed structural properties

XLogP: 7
Topological polar surface area: 90.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 49
Formal charge: 0
Complexity: 1,160

Related reactions

1 records

New reaction record

HRID 1282700As productuspto-grants-2002_09

Compound notes

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