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6802-17-1 | N-(BENZO[1,3]DIOXOL-5-YLMETHYL)-3-[(3-CHLOROPHENYL)METHYL]-2,4-DIMETHYL-1,5,9-TRIAZABICYCLO[4.3.0]NONA-2,4,6,8-TETRAENE-7-CARBOXAMIDE
CAS No: 6802-17-1 Catalog No: AG006GVC MDL No:
Product Description
Catalog Number:
AG006GVC
Chemical Name:
N-(BENZO[1,3]DIOXOL-5-YLMETHYL)-3-[(3-CHLOROPHENYL)METHYL]-2,4-DIMETHYL-1,5,9-TRIAZABICYCLO[4.3.0]NONA-2,4,6,8-TETRAENE-7-CARBOXAMIDE
CAS Number:
6802-17-1
Molecular Formula:
C24H21ClN4O3
Molecular Weight:
448.9015
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
InChI:
InChI=1S/C24H21ClN4O3/c1-14-19(9-16-4-3-5-18(25)8-16)15(2)29-23(28-14)20(12-27-29)24(30)26-11-17-6-7-21-22(10-17)32-13-31-21/h3-8,10,12H,9,11,13H2,1-2H3,(H,26,30)
InChI Key:
GPYVQXQOHZKBSS-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Cc1c(C)nc2n(c1C)ncc2C(=O)NCc1ccc2c(c1)OCO2
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.13g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.907g/mol
Monoisotopic Mass:
448.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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