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7399-23-7 | 8b-benzyl-2-cyclohexyl-3a-hydroxy-1,3a,4,8b-tetrahydropyrrolo(3,4-b)indol-3(2h)-one
CAS No: 7399-23-7 Catalog No: AG005IQ1 MDL No:
Product Description
Catalog Number:
AG005IQ1
Chemical Name:
8b-benzyl-2-cyclohexyl-3a-hydroxy-1,3a,4,8b-tetrahydropyrrolo(3,4-b)indol-3(2h)-one
CAS Number:
7399-23-7
Molecular Formula:
C23H26N2O2
Molecular Weight:
362.4647
IUPAC Name:
8b-benzyl-2-cyclohexyl-3a-hydroxy-1,4-dihydropyrrolo[3,4-b]indol-3-one
InChI:
InChI=1S/C23H26N2O2/c26-21-23(27)22(15-17-9-3-1-4-10-17,19-13-7-8-14-20(19)24-23)16-25(21)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,24,27H,2,5-6,11-12,15-16H2
InChI Key:
HBHWDGKQISOEHD-UHFFFAOYSA-N
SMILES:
O=C1N(CC2(C1(O)Nc1c2cccc1)Cc1ccccc1)C1CCCCC1
NSC Number:
55184
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.199g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.473g/mol
Monoisotopic Mass:
362.199g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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