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207350-09-2 | 2-Propenamide, N-(1,3-benzodioxol-5-ylmethyl)-N-(1,1-dimethylethyl)-3-(phenylsulfinyl)-
CAS No: 207350-09-2 Catalog No: AG002J0D MDL No:
Product Description
Catalog Number:
AG002J0D
Chemical Name:
2-Propenamide, N-(1,3-benzodioxol-5-ylmethyl)-N-(1,1-dimethylethyl)-3-(phenylsulfinyl)-
CAS Number:
207350-09-2
Molecular Formula:
C21H23NO4S
Molecular Weight:
385.4766
IUPAC Name:
3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide
InChI:
InChI=1S/C21H23NO4S/c1-21(2,3)22(14-16-9-10-18-19(13-16)26-15-25-18)20(23)11-12-27(24)17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3
InChI Key:
ONNGZSNFZVBIIU-UHFFFAOYSA-N
SMILES:
O=C(N(C(C)(C)C)Cc1ccc2c(c1)OCO2)C=CS(=O)c1ccccc1
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.135g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.478g/mol
Monoisotopic Mass:
385.135g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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