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82481-34-3 | 7-METHOXY-6-(4-METHOXYPHENYL)-3-[(4-METHOXYPHENYL)METHYL]-IMIDAZO[1,2-B]-1,2,4,5-TETRAZINE
CAS No: 82481-34-3 Catalog No: AG004VL1 MDL No:
Product Description
Catalog Number:
AG004VL1
Chemical Name:
7-METHOXY-6-(4-METHOXYPHENYL)-3-[(4-METHOXYPHENYL)METHYL]-IMIDAZO[1,2-B]-1,2,4,5-TETRAZINE
CAS Number:
82481-34-3
Molecular Formula:
C20H19N5O3
Molecular Weight:
377.3966
IUPAC Name:
7-methoxy-6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazine
InChI:
InChI=1S/C20H19N5O3/c1-26-15-8-4-13(5-9-15)12-17-22-23-20-21-19(28-3)18(25(20)24-17)14-6-10-16(27-2)11-7-14/h4-11H,12H2,1-3H3
InChI Key:
YPJFSRPZJQPIGD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1nnc2n(n1)c(c1ccc(cc1)OC)c(n2)OC
NSC Number:
368344
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.149g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.404g/mol
Monoisotopic Mass:
377.149g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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