chempirical

Pha-793887

C19H31N5O2CAS 718630-59-2361.49 g/mol

Open in Covalent MOL file
OHNNNHNON
AmideTertiary amine

Properties

Molecular formula
C19H31N5O2
Molar mass
361.49 g/mol
Exact mass
361.2478 Da
logP
2.31Crippen estimate
Polar surface area
81.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

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
718630-59-2
SMILES
CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C
InChIKey
HUXYBQXJVXOMKX-UHFFFAOYSA-N
InChI
InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Pha-793887

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

tert-Butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazole-5-carboxylate398491-61-732 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook