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76973-35-8 | Pyrano[2,3-c]pyrazole-5-carbonitrile,6-amino-4-(4-chlorophenyl)-1,4-dihydro-3-methyl-1-phenyl-
CAS No: 76973-35-8 Catalog No: AG0057AB MDL No:MFCD00486616
Product Description
Catalog Number:
AG0057AB
Chemical Name:
Pyrano[2,3-c]pyrazole-5-carbonitrile,6-amino-4-(4-chlorophenyl)-1,4-dihydro-3-methyl-1-phenyl-
CAS Number:
76973-35-8
Molecular Formula:
C20H15ClN4O
Molecular Weight:
362.8123
MDL Number:
MFCD00486616
IUPAC Name:
6-amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
InChI:
InChI=1S/C20H15ClN4O/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)19(23)26-20(17)25(24-12)15-5-3-2-4-6-15/h2-10,18H,23H2,1H3
InChI Key:
WSQBOKWKTHPMRX-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)Oc2c(C1c1ccc(cc1)Cl)c(C)nn2c1ccccc1
NSC Number:
299139
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.093g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.817g/mol
Monoisotopic Mass:
362.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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