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675140-02-0 | 2,3-Dihydroindole-2-one-3-spiro-2'-(7'-benzyl-6',8'-dioxo-5-methyl-3,7- diazabicyclo[3.3.0]octane)
CAS No: 675140-02-0 Catalog No: AG00J9WA MDL No:MFCD03854885
Product Description
Catalog Number:
AG00J9WA
Chemical Name:
2,3-Dihydroindole-2-one-3-spiro-2'-(7'-benzyl-6',8'-dioxo-5-methyl-3,7- diazabicyclo[3.3.0]octane)
CAS Number:
675140-02-0
Molecular Formula:
C21H19N3O3
Molecular Weight:
361.3939
MDL Number:
MFCD03854885
IUPAC Name:
5-benzyl-1-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
InChI:
InChI=1S/C21H19N3O3/c1-12-16-17(19(26)24(18(16)25)11-13-7-3-2-4-8-13)21(23-12)14-9-5-6-10-15(14)22-20(21)27/h2-10,12,16-17,23H,11H2,1H3,(H,22,27)
InChI Key:
XFOXJSLOKBYOAR-UHFFFAOYSA-N
SMILES:
CC1NC2(C3C1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cccc1
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.401g/mol
Monoisotopic Mass:
361.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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