chempirical

At9283

C19H23N7O2CAS 896466-04-9381.44 g/mol

Open in Covalent MOL file
HNOHNHNNNNHNO
EtherTertiary amineUrea

Properties

Molecular formula
C19H23N7O2
Molar mass
381.44 g/mol
Exact mass
381.1913 Da
logP
2.07Crippen estimate
Polar surface area
111.0 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
5

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
896466-04-9
SMILES
C1CC1NC(=O)NC2=C(NN=C2)C3=NC4=C(N3)C=C(C=C4)CN5CCOCC5
InChIKey
LOLPPWBBNUVNQZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)

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Work with At9283

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

4-(Morpholin-4-ium-4-ylmethyl)benzoate62642-62-031 % similar Sc-396658924416-43-331 % similar 4-(Morpholinomethyl)aniline51013-67-330 % similar

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

Elsewhere

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