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6977-65-7 | N-[(2-CYANOPHENYL)THIOCARBAMOYL]-2-(2,5-DIMETHYLPHENOXY)ACETAMIDE
CAS No: 6977-65-7 Catalog No: AG005I03 MDL No:
Product Description
Catalog Number:
AG005I03
Chemical Name:
N-[(2-CYANOPHENYL)THIOCARBAMOYL]-2-(2,5-DIMETHYLPHENOXY)ACETAMIDE
CAS Number:
6977-65-7
Molecular Formula:
C18H17N3O2S
Molecular Weight:
339.4115
IUPAC Name:
N-[(2-cyanophenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
InChI:
InChI=1S/C18H17N3O2S/c1-12-7-8-13(2)16(9-12)23-11-17(22)21-18(24)20-15-6-4-3-5-14(15)10-19/h3-9H,11H2,1-2H3,(H2,20,21,22,24)
InChI Key:
MRWWKHOTYUYUJD-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1NC(=S)NC(=O)COc1cc(C)ccc1C
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.104g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.413g/mol
Monoisotopic Mass:
339.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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