(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-(3-hydroxy-cyclohex-1-en-1-yl)-phenyl]-methanone

HCID 10178077

Notes Reactions

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Basic information

Standard SMILES: O=C(c1ccc(C2=CC(O)CCC2)cc1)N1Cc2cccn2Cc2ccccc21
InChIKey: DUWNXBQGINTCLV-UHFFFAOYSA-N
Molecular formula: C25H24N2O2
Average molar mass: 384.5 g/mol

Names & identifiers

Preferred name: (10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-(3-hydroxy-cyclohex-1-en-1-yl)-phenyl]-methanone
IUPAC: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(3-hydroxycyclohexen-1-yl)phenyl]methanone

Names & synonyms

SCHEMBL6068887DUWNXBQGINTCLV-UHFFFAOYSA-N(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-(3-hydroxy-cyclohex-1-en-1-yl)-phenyl]-methanone

Database identifiers

PubChem CID: 10178077

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 45.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 29
Formal charge: 0
Complexity: 624

Related reactions

2 records

New reaction record

HRID 112102As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1793998As productuspto-grants-2006_04

Compound notes

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