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101387-98-8 | Indeno[5,6-d]imidazol-6(1H)-one, 5,7-dihydro-2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5,5,7,7-tetramethyl-
CAS No: 101387-98-8 Catalog No: AG0004CH MDL No:
Product Description
Catalog Number:
AG0004CH
Chemical Name:
Indeno[5,6-d]imidazol-6(1H)-one, 5,7-dihydro-2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5,5,7,7-tetramethyl-
CAS Number:
101387-98-8
Molecular Formula:
C22H25N3O3S
Molecular Weight:
411.5172
IUPAC Name:
2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one
InChI:
InChI=1S/C22H25N3O3S/c1-12-17(23-8-7-18(12)28-6)11-29(27)20-24-15-9-13-14(10-16(15)25-20)22(4,5)19(26)21(13,2)3/h7-10H,11H2,1-6H3,(H,24,25)
InChI Key:
YBCJDBBYBFMVEG-UHFFFAOYSA-N
SMILES:
COc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cc1c(c2)C(C)(C)C(=O)C1(C)C
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.162g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.52g/mol
Monoisotopic Mass:
411.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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