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192648-61-6 | Benzothiazole, 2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)-
CAS No: 192648-61-6 Catalog No: AG002G63 MDL No:
Product Description
Catalog Number:
AG002G63
Chemical Name:
Benzothiazole, 2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)-
CAS Number:
192648-61-6
Molecular Formula:
C22H17N3S
Molecular Weight:
355.4555
IUPAC Name:
2-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-1,3-benzothiazole
InChI:
InChI=1S/C22H17N3S/c1-3-9-16(10-4-1)20-15-19(24-25(20)17-11-5-2-6-12-17)22-23-18-13-7-8-14-21(18)26-22/h1-14,20H,15H2
InChI Key:
BVOHXHAILRKXOB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1N=C(CC1c1ccccc1)c1sc2c(n1)cccc2
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.459g/mol
Monoisotopic Mass:
355.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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