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165893-99-2 | Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-2,5-bis(phenylmethyl)-
CAS No: 165893-99-2 Catalog No: AG001WEL MDL No:MFCD09037882
Product Description
Catalog Number:
AG001WEL
Chemical Name:
Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-2,5-bis(phenylmethyl)-
CAS Number:
165893-99-2
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
MDL Number:
MFCD09037882
IUPAC Name:
2,5-dibenzyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
InChI:
InChI=1S/C20H20N2O2/c23-19-17-13-21(11-15-7-3-1-4-8-15)14-18(17)20(24)22(19)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChI Key:
XRDKPXBXIRFDDH-UHFFFAOYSA-N
SMILES:
O=C1C2CN(CC2C(=O)N1Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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