(10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[3-methoxy-2'-methyl-[1,1'-biphenyl]-4-yl]-methanone

HCID 21947713

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(-c2ccccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc21
InChIKey: FUDFCVAYPKLQSJ-UHFFFAOYSA-N
Molecular formula: C27H24N2O2
Average molar mass: 408.5 g/mol

Names & identifiers

Preferred name: (10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[3-methoxy-2'-methyl-[1,1'-biphenyl]-4-yl]-methanone
IUPAC: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[2-methoxy-4-(2-methylphenyl)phenyl]methanone

Names & synonyms

SCHEMBL5784203FUDFCVAYPKLQSJ-UHFFFAOYSA-N(10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[3-methoxy-2'-methyl-[1,1'-biphenyl]-4-yl]-methanone

Database identifiers

PubChem CID: 21947713

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 34.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 31
Formal charge: 0
Complexity: 624

Related reactions

8 records

New reaction record

HRID 1145263As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1552950As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1830079As productuspto-grants-2006_06

HRID 1830080As reactantuspto-grants-2006_06

HRID 2184464As productuspto-grants-2005_05

HRID 2184465As reactantuspto-grants-2005_05

HRID 2215125As productuspto-grants-2006_09

HRID 2215126As reactantuspto-grants-2006_09

Compound notes

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