chempirical

Gdc-0879

C19H18N4O2CAS 905281-76-7334.38 g/mol

Open in Covalent MOL file
NHONNNOH
AlcoholOxime

Properties

Molecular formula
C19H18N4O2
Molar mass
334.38 g/mol
Exact mass
334.1430 Da
logP
2.73Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
905281-76-7
SMILES
C1C/C(=N\O)/C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCO
InChIKey
DEZZLWQELQORIU-RELWKKBWSA-N
InChI
InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+

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Work with Gdc-0879

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

SB 590885405554-55-442 % similar 2,3-Dihydro-1H-inden-1-one oxime3349-60-835 % similar

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

Same formula

Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate641569-97-3 Pimobendan74150-27-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook