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144734-92-9 | 10H-Phenothiazine, 10-heptadecyl-
CAS No: 144734-92-9 Catalog No: AG001K2C MDL No:
Product Description
Catalog Number:
AG001K2C
Chemical Name:
10H-Phenothiazine, 10-heptadecyl-
CAS Number:
144734-92-9
Molecular Formula:
C29H43NS
Molecular Weight:
437.7234
IUPAC Name:
10-heptadecylphenothiazine
InChI:
InChI=1S/C29H43NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-30-26-21-16-18-23-28(26)31-29-24-19-17-22-27(29)30/h16-19,21-24H,2-15,20,25H2,1H3
InChI Key:
KNUVXNSTKYHLQU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.312g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.73g/mol
Monoisotopic Mass:
437.312g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.4
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