2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-N-(methylsulfonyl)acetamide

C₂₆H₃₂N₄O₄SCAS 475086-01-2496.63 g/mol

Open in Covalent MOL file

Ether Tertiary amine

Properties

Molecular formula: C₂₆H₃₂N₄O₄S
Molar mass: 496.63 g/mol
Exact mass: 496.2144 Da
logP: 4.74Crippen estimate
Polar surface area: 105.0 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 12

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

475086-01-2

SMILES

CC(C)N(CCCCOCC(O)=NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1

InChIKey

QXWZQTURMXZVHJ-UHFFFAOYSA-N

InChI

InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)

Weigh it out

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Names and synonyms

8 names

Acetamide, 2-[4-[(5,6-diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-N-(methylsulfonyl)-
Acetamide, 2-[4-[(5,6-diphenylpyrazinyl)(1-methylethyl)amino]butoxy]-N-(methylsulfonyl)-
NS 304
Selexipag
ACT 293987
2-[4-[(5,6-Diphenylpyrazin-2-yl)(isopropyl)amino]butoxy]-N-(methylsulfonyl)acetamide
Uptravi
2-[4-[(5,6-Diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide

Work with 2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-N-(methylsulfonyl)acetamide

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

2-(4-((5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino)butoxy)acetic acid475085-57-569 % similar 4-((5,6-Diphenyl-Pyrazin-2-yl)(isopropyl)amino)butan-1-ol475086-75-055 % similar

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

Elsewhere

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