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98183-15-4 | 2-[(1-ACETYL-2-OXOPROPYL)THIO]-N-CYCLOHEXYL-1H-BENZO[D]IMIDAZOLE-1-CARBOXAMIDE
CAS No: 98183-15-4 Catalog No: AG0069KK MDL No:
Product Description
Catalog Number:
AG0069KK
Chemical Name:
2-[(1-ACETYL-2-OXOPROPYL)THIO]-N-CYCLOHEXYL-1H-BENZO[D]IMIDAZOLE-1-CARBOXAMIDE
CAS Number:
98183-15-4
Molecular Formula:
C19H23N3O3S
Molecular Weight:
373.4692
IUPAC Name:
N-cyclohexyl-2-(2,4-dioxopentan-3-ylsulfanyl)benzimidazole-1-carboxamide
InChI:
InChI=1S/C19H23N3O3S/c1-12(23)17(13(2)24)26-19-21-15-10-6-7-11-16(15)22(19)18(25)20-14-8-4-3-5-9-14/h6-7,10-11,14,17H,3-5,8-9H2,1-2H3,(H,20,25)
InChI Key:
PYNJDHQMZUHVIC-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)Sc1nc2c(n1C(=O)NC1CCCCC1)cccc2
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.146g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.471g/mol
Monoisotopic Mass:
373.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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