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866011-06-5

866011-06-5 | N-[(2Z)-3-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide

CAS No: 866011-06-5 Catalog No: AG00ITA4 MDL No:MFCD05670464

Product Description

Catalog Number:
AG00ITA4
Chemical Name:
N-[(2Z)-3-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide
CAS Number:
866011-06-5
Molecular Formula:
C19H28N2O2S2
Molecular Weight:
380.5678
MDL Number:
MFCD05670464
IUPAC Name:
(NZ)-N-(3-methyl-1,3-thiazol-2-ylidene)-2,4,6-tri(propan-2-yl)benzenesulfonamide
InChI:
InChI=1S/C19H28N2O2S2/c1-12(2)15-10-16(13(3)4)18(17(11-15)14(5)6)25(22,23)20-19-21(7)8-9-24-19/h8-14H,1-7H3/b20-19-
InChI Key:
URLKLFDMLFIACA-VXPUYCOJSA-N
SMILES:
CC(c1cc(cc(c1S(=O)(=O)/N=c/1\sccn1C)C(C)C)C(C)C)C

Properties

Complexity:
600  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
380.159g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.565g/mol
Monoisotopic Mass:
380.159g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  

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