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28452-78-0 | 10H-Phenothiazine,3,7-diisooctyl-
CAS No: 28452-78-0 Catalog No: AG007KL4 MDL No:
Product Description
Catalog Number:
AG007KL4
Chemical Name:
10H-Phenothiazine,3,7-diisooctyl-
CAS Number:
28452-78-0
Molecular Formula:
C28H41NS
Molecular Weight:
423.6968
IUPAC Name:
3,7-bis(6-methylheptyl)-10H-phenothiazine
InChI:
InChI=1S/C28H41NS/c1-21(2)11-7-5-9-13-23-15-17-25-27(19-23)30-28-20-24(16-18-26(28)29-25)14-10-6-8-12-22(3)4/h15-22,29H,5-14H2,1-4H3
InChI Key:
JPVMUULPJCDXNQ-UHFFFAOYSA-N
SMILES:
CC(CCCCCc1ccc2c(c1)Sc1c(N2)ccc(c1)CCCCCC(C)C)C
EC Number:
249-028-7
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.296g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.703g/mol
Monoisotopic Mass:
423.296g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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