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C₂₆H₂₇N₃O₅SCAS 1132935-63-7493.58 g/mol

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Ether Phenol Sulfonamide

Properties

Molecular formula: C₂₆H₂₇N₃O₅S
Molar mass: 493.58 g/mol
Exact mass: 493.1671 Da
logP: 4.44Crippen estimate
Polar surface area: 110.5 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 5

Identifiers

CAS number

1132935-63-7

SMILES

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(O)nc2=O)cc1C(C)(C)C

InChIKey

NBRBXGKOEOGLOI-UHFFFAOYSA-N

InChI

InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)

Weigh it out

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

Names and synonyms

4 names

Methanesulfonamide, N-[6-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]-2-naphthalenyl]-
N-[6-[5-(3,4-Dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]-2-naphthalenyl]methanesulfonamide
N-[6-[3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide
ABT 333

Work with Dasabuvir

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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