Gnf 5837

C₂₈H₂₁F₄N₅O₂CAS 1033769-28-6535.50 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Amide Aryl halide Lactam Secondary amine Urea

Properties

Molecular formula: C₂₈H₂₁F₄N₅O₂
Molar mass: 535.50 g/mol
Exact mass: 535.1631 Da
logP: 7.36Crippen estimate
Polar surface area: 98.1 Å²
H-bond donors / acceptors: 5 / 3
Rotatable bonds: 5
Double bonds: ZE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1033769-28-6

SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)F)NC3=CC4=C(C=C3)/C(=C/C5=CC=CN5)/C(=O)N4

InChIKey

YYDUWLSETXNJJT-MTJSOVHGSA-N

InChI

InChI=1S/C28H21F4N5O2/c1-15-4-6-19(35-27(39)37-25-11-16(28(30,31)32)5-9-22(25)29)13-23(15)34-18-7-8-20-21(12-17-3-2-10-33-17)26(38)36-24(20)14-18/h2-14,33-34H,1H3,(H,36,38)(H2,35,37,39)/b21-12-

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Work with Gnf 5837

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-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione343-69-136 % similar 5-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione345-32-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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