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823802-16-0 | 10H-Phenothiazine, 3-(hexadecyloxy)-
CAS No: 823802-16-0 Catalog No: AG005CWU MDL No:
Product Description
Catalog Number:
AG005CWU
Chemical Name:
10H-Phenothiazine, 3-(hexadecyloxy)-
CAS Number:
823802-16-0
Molecular Formula:
C28H41NOS
Molecular Weight:
439.6962
IUPAC Name:
3-hexadecoxy-10H-phenothiazine
InChI:
InChI=1S/C28H41NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-30-24-20-21-26-28(23-24)31-27-19-16-15-18-25(27)29-26/h15-16,18-21,23,29H,2-14,17,22H2,1H3
InChI Key:
OFQOSVSIXUYIGB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1ccc2c(c1)Sc1c(N2)cccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.291g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.702g/mol
Monoisotopic Mass:
439.291g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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