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1444585-97-0 | N-(cyclopent-1-en-1-yl)-2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-methylacetamide
CAS No: 1444585-97-0 Catalog No: AG01AM9W MDL No:MFCD29033910
Product Description
Catalog Number:
AG01AM9W
Chemical Name:
N-(cyclopent-1-en-1-yl)-2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-methylacetamide
CAS Number:
1444585-97-0
Molecular Formula:
C19H23N3OS
Molecular Weight:
341.4704
MDL Number:
MFCD29033910
IUPAC Name:
N-(cyclopenten-1-yl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methylacetamide
InChI:
InChI=1S/C19H23N3OS/c1-14-10-15(2)12-17(11-14)22-9-8-20-19(22)24-13-18(23)21(3)16-6-4-5-7-16/h6,8-12H,4-5,7,13H2,1-3H3
InChI Key:
MNZWJPUJQOJGLT-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)n1ccnc1SCC(=O)N(C1=CCCC1)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.156g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.473g/mol
Monoisotopic Mass:
341.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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