Home Other Building Blocks (4R,6R)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.0,2,6]tetradeca-1(14),10,12-trien-7-one

(4R,6R)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.0,2,6]tetradeca-1(14),10,12-trien-7-one

CAS No.:
2059913-86-7
Catalog Number:
AG01C02W
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
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Product Description
Catalog Number:
AG01C02W
Chemical Name:
(4R,6R)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.0,2,6]tetradeca-1(14),10,12-trien-7-one
CAS Number:
2059913-86-7
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD30497792
IUPAC Name:
(6R)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one
InChI:
InChI=1S/C11H13N3O2/c15-8-4-9-11(16)13-5-7-2-1-3-12-10(7)14(9)6-8/h1-3,8-9,15H,4-6H2,(H,13,16)/t8?,9-/m1/s1
InChI Key:
IYCZDGSUEPCKTP-YGPZHTELSA-N
SMILES:
O[C@@H]1C[C@H]2N(C1)c1ncccc1CNC2=O
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties