Sch772984

C₃₃H₃₃N₉O₂CAS 942183-80-4587.69 g/mol

Open in Covalent MOL file

Amide Tertiary amine

Properties

Molecular formula: C₃₃H₃₃N₉O₂
Molar mass: 587.69 g/mol
Exact mass: 587.2757 Da
logP: 3.69Crippen estimate
Polar surface area: 123.2 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 7
Stereocentres: Rin 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

942183-80-4

SMILES

C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7

InChIKey

HDAJDNHIBCDLQF-RUZDIDTESA-N

InChI

InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1

Weigh it out

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

Work with Sch772984

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

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