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14743-95-4 | Furo[3,4-d]pyrimidine-2,5(1H,3H)-dione, 4,7-dihydro-4-phenyl-
CAS No: 14743-95-4 Catalog No: AG001EWM MDL No:
Product Description
Catalog Number:
AG001EWM
Chemical Name:
Furo[3,4-d]pyrimidine-2,5(1H,3H)-dione, 4,7-dihydro-4-phenyl-
CAS Number:
14743-95-4
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
4-phenyl-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
InChI:
InChI=1S/C12H10N2O3/c15-11-9-8(6-17-11)13-12(16)14-10(9)7-4-2-1-3-5-7/h1-5,10H,6H2,(H2,13,14,16)
InChI Key:
UXUKJXSIKFQAFB-UHFFFAOYSA-N
SMILES:
O=C1NC2=C(C(N1)c1ccccc1)C(=O)OC2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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