7-((2S,3'S)-2-Methyl-[1,3']bipyrrolidinyl-1'-yl)-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid methyl ester

HCID 68211019
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Basic information

Standard SMILES
COC(=O)N1CCc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2CC1
InChIKey
BPGCNCMADJSRTQ-JXFKEZNVSA-N
Molecular formula
C21H31N3O2
Average molar mass
357.5 g/mol
Monoisotopic mass
357.24162724

Names & identifiers

Preferred name
7-((2S,3'S)-2-Methyl-[1,3']bipyrrolidinyl-1'-yl)-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid methyl ester
IUPAC
methyl 7-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Names & synonyms

SCHEMBL12182000BPGCNCMADJSRTQ-JXFKEZNVSA-N7-((2S,3'S)-2-Methyl-[1,3']bipyrrolidinyl-1'-yl)-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid methyl ester7-((2S,3'S)-2-Methyl-[1,3]bipyrrolidinyl-1'-yl)-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid methyl ester

Database identifiers

PubChem CID
68211019

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
36 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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