Sar-020106

C19H19ClN6OCAS 1184843-57-9382.85 g/mol

Open in Covalent MOL file
NONNNHNNCl
Aryl halideEtherNitrileSecondary amineTertiary amine

Properties

Molecular formula
C19H19ClN6O
Molar mass
382.85 g/mol
Exact mass
382.1309 Da
logP
3.62Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
1184843-57-9
SMILES
C[C@H](CN(C)C)OC1=NC(=CN=C1C#N)NC2=NC=C3C(=C2)C=CC=C3Cl
InChIKey
SRBJWIBAMIKCMV-GFCCVEGCSA-N
InChI
InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1

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Work with Sar-020106

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

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