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26339-42-4 | 1H-Furo[3,4-d]imidazole-2,4,6(3H)-trione, dihydro-1,3-bis(phenylmethyl)-, (3aR,6aS)-rel-
CAS No: 26339-42-4 Catalog No: AG002STE MDL No:
Product Description
Catalog Number:
AG002STE
Chemical Name:
1H-Furo[3,4-d]imidazole-2,4,6(3H)-trione, dihydro-1,3-bis(phenylmethyl)-, (3aR,6aS)-rel-
CAS Number:
26339-42-4
Molecular Formula:
C19H16N2O4
Molecular Weight:
336.3413
IUPAC Name:
(3aS,6aR)-1,3-dibenzyl-3a,6a-dihydrofuro[3,4-d]imidazole-2,4,6-trione
InChI:
InChI=1S/C19H16N2O4/c22-17-15-16(18(23)25-17)21(12-14-9-5-2-6-10-14)19(24)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+
InChI Key:
WIVKAHXCBJSNDF-IYBDPMFKSA-N
SMILES:
O=C1N(Cc2ccccc2)[C@@H]2[C@H](N1Cc1ccccc1)C(=O)OC2=O
EC Number:
247-618-9
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
336.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.347g/mol
Monoisotopic Mass:
336.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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