chempirical

2-[(6,11-Dihydro-5H-dibenz[B,E]azepin-6-yl)methyl]-1H-isoindole-1,3(2H)-dione

C23H18N2O2CAS 143878-20-0354.41 g/mol

Open in Covalent MOL file
OONHN
AmideLactamSecondary amine

Properties

Molecular formula
C23H18N2O2
Molar mass
354.41 g/mol
Exact mass
354.1368 Da
logP
4.04Crippen estimate
Polar surface area
49.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
143878-20-0
SMILES
O=C1c2ccccc2C(=O)N1CC1Nc2ccccc2Cc2ccccc21
InChIKey
XXHUCKUXFLTXAG-UHFFFAOYSA-N
InChI
InChI=1S/C23H18N2O2/c26-22-18-10-4-5-11-19(18)23(27)25(22)14-21-17-9-3-1-7-15(17)13-16-8-2-6-12-20(16)24-21/h1-12,21,24H,13-14H2

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Names and synonyms

3 names
  • 1H-Isoindole-1,3(2H)-dione, 2-[(6,11-dihydro-5H-dibenz[b,e]azepin-6-yl)methyl]-
  • 5H-Dibenz[b,e]azepine, 1H-isoindole-1,3(2H)-dione deriv.
  • 2-(6,11-Dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)isoindole-1,3-dione

Work with 2-[(6,11-Dihydro-5H-dibenz[B,E]azepin-6-yl)methyl]-1H-isoindole-1,3(2H)-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6,11-Dihydro-5H-dibenz[B,E]azepine-6-methanamine41218-84-252 % similar 5H-Dibenz[B,E]azepine-6-methanamine, 6,11-dihydro-, (2E)-2-butenedioate (1:1)127785-96-049 % similar 2-[(2S)-2-Oxiranylmethyl]-1H-isoindole-1,3(2H)-dione161596-47-043 % similar N-(2,3-Epoxypropyl)phthalimide5455-98-143 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-540 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-640 % similar N-(Hydroxymethyl)phthalimide118-29-639 % similar 2-(Phenylmethyl)-1H-isoindole-1,3(2H)-dione2142-01-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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