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81103-05-1 | 10H-Phenothiazine, 2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)-
CAS No: 81103-05-1 Catalog No: AG008L6Y MDL No:
Product Description
Catalog Number:
AG008L6Y
Chemical Name:
10H-Phenothiazine, 2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)-
CAS Number:
81103-05-1
Molecular Formula:
C27H21N3S
Molecular Weight:
419.5407
IUPAC Name:
2-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-10H-phenothiazine
InChI:
InChI=1S/C27H21N3S/c1-3-9-19(10-4-1)25-18-23(29-30(25)21-11-5-2-6-12-21)20-15-16-27-24(17-20)28-22-13-7-8-14-26(22)31-27/h1-17,25,28H,18H2
InChI Key:
GUECEPSWNTTZAW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc2c(c1)Nc1c(S2)cccc1
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.146g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.546g/mol
Monoisotopic Mass:
419.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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