Epz015666

C₂₀H₂₅N₅O₃CAS 1616391-65-1383.45 g/mol

Open in Covalent MOL file

Alcohol Amide Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₀H₂₅N₅O₃
Molar mass: 383.45 g/mol
Exact mass: 383.1957 Da
logP: 0.44Crippen estimate
Polar surface area: 99.6 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 7
Stereocentres: Sin SMILES atom 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

1616391-65-1

SMILES

C1CN(CC2=CC=CC=C21)C[C@H](CNC(=O)C3=CC(=NC=N3)NC4COC4)O

InChIKey

ZKXZLIFRWWKZRY-KRWDZBQOSA-N

InChI

InChI=1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1

Weigh it out

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

Work with Epz015666

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook