Z-Darenzepine

HCID 6444827

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Basic information

CAS: 84629-60-7
Standard SMILES: CN1CCN(C(=O)/C=C2\c3ccccc3NC(=O)c3ccccc32)CC1
InChIKey: VBQROPPRMFZXNC-JXAWBTAJSA-N
Molecular formula: C21H21N3O2
Average molar mass: 347.4 g/mol
Monoisotopic mass: 347.16337692

Names & identifiers

Preferred name: Z-Darenzepine
IUPAC: (11Z)-11-[2-(4-methylpiperazin-1-yl)-2-oxoethylidene]-5H-benzo[c][1]benzazepin-6-one

Names & synonyms

Z-DarenzepineDTXSID6090461684629-60-7RefChem:388519DTXCID90160566AKOS005064308(11Z)-11-[2-(4-Methylpiperazin-1-yl)-2-oxoethylidene]-5,11-dihydro-6H-dibenzo[b,e]azepin-6-one

Database identifiers

CAS: 84629-60-7
PubChem CID: 6444827
DTXSID: DTXSID60904616

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 52.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 26
Formal charge: 0
Complexity: 580

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