Tak-901

C₂₈H₃₂N₄O₃SCAS 934541-31-8504.65 g/mol

Open in Covalent MOL file

Amide Sulfone Tertiary amine

Properties

Molecular formula: C₂₈H₃₂N₄O₃S
Molar mass: 504.65 g/mol
Exact mass: 504.2195 Da
logP: 4.62Crippen estimate
Polar surface area: 95.2 Å²
H-bond donors / acceptors: 2 / 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

934541-31-8

SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=C(N3)N=CC(=C4)C)C)C(=O)NC5CCN(CC5)C

InChIKey

WKDACQVEJIVHMZ-UHFFFAOYSA-N

InChI

InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)

Weigh it out

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

Names and synonyms

1 names

5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-9H-pyrido[2,3-B]indole-7-carboxamide

Work with Tak-901

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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