1-[3-(3-Chlorophenyl)prop-2-enoyl]-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepan-5-one

HCID 68434862
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Basic information

Standard SMILES
O=C(C=Cc1cccc(Cl)c1)N1CCC(=O)N(CCN2CCCC2)CC1
InChIKey
NCQTUVBVHVFCPX-UHFFFAOYSA-N
Molecular formula
C20H26ClN3O2
Average molar mass
375.9 g/mol

Names & identifiers

Preferred name
1-[3-(3-Chlorophenyl)prop-2-enoyl]-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepan-5-one
IUPAC
1-[3-(3-chlorophenyl)prop-2-enoyl]-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepan-5-one

Names & synonyms

SCHEMBL2904336

Database identifiers

PubChem CID
68434862

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
26

Related reactions

1 records
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Compound notes

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