chempirical

Osi-930

C22H16F3N3O2SCAS 728033-96-3443.44 g/mol

Open in Covalent MOL file
NHNSOHNOFFF
Alkyl halideAmideEtherSecondary amine

Properties

Molecular formula
C22H16F3N3O2S
Molar mass
443.44 g/mol
Exact mass
443.0915 Da
logP
6.06Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6

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
728033-96-3
SMILES
C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F
InChIKey
FGTCROZDHDSNIO-UHFFFAOYSA-N
InChI
InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)

Weigh it out

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

Work with Osi-930

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-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide161290-85-337 % similar Triflumuron64628-44-034 % similar 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile122454-46-033 % similar 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea142229-74-132 % similar 4-(Trifluoromethoxy)benzoic acid hydrazide175277-18-632 % similar N-Ethyl-4-(trifluoromethoxy)aniline175278-20-332 % similar Gnf-2778270-11-431 % similar 4-(Trifluoromethoxy)phenacyl bromide103962-10-330 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook