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42460-67-3 | 10-BENZYL-3,7-BIS(1,1,3,3-TETRAMETHYLBUTYL)-10H-PHENOTHIAZINE
CAS No: 42460-67-3 Catalog No: AG007285 MDL No:
Product Description
Catalog Number:
AG007285
Chemical Name:
10-BENZYL-3,7-BIS(1,1,3,3-TETRAMETHYLBUTYL)-10H-PHENOTHIAZINE
CAS Number:
42460-67-3
Molecular Formula:
C35H47NS
Molecular Weight:
513.8194
IUPAC Name:
10-benzyl-3,7-bis(2,4,4-trimethylpentan-2-yl)phenothiazine
InChI:
InChI=1S/C35H47NS/c1-32(2,3)23-34(7,8)26-16-18-28-30(20-26)37-31-21-27(35(9,10)24-33(4,5)6)17-19-29(31)36(28)22-25-14-12-11-13-15-25/h11-21H,22-24H2,1-10H3
InChI Key:
ULUJZISRAAZRAL-UHFFFAOYSA-N
SMILES:
CC(CC(c1ccc2c(c1)Sc1c(N2Cc2ccccc2)ccc(c1)C(CC(C)(C)C)(C)C)(C)C)(C)C
EC Number:
255-835-5
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.343g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
513.828g/mol
Monoisotopic Mass:
513.343g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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