chempirical

Mcc-950

C20H24N2O5SCAS 210826-40-7404.48 g/mol

Open in Covalent MOL file
OSOONHOHNOH
AlcoholSulfonamideUrea

Properties

Molecular formula
C20H24N2O5S
Molar mass
404.48 g/mol
Exact mass
404.1406 Da
logP
2.99Crippen estimate
Polar surface area
108.6 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4

Identifiers

CAS number
210826-40-7
SMILES
CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O
InChIKey
HUUSXLKCTQDPGL-UHFFFAOYSA-N
InChI
InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)

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Names and synonyms

1 names
  • Mcc950

Work with Mcc-950

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

Cp-456773 sodium256373-96-363 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook