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823802-10-4 | 10H-Phenothiazine, 3-(dodecyloxy)-
CAS No: 823802-10-4 Catalog No: AG005CWX MDL No:
Product Description
Catalog Number:
AG005CWX
Chemical Name:
10H-Phenothiazine, 3-(dodecyloxy)-
CAS Number:
823802-10-4
Molecular Formula:
C24H33NOS
Molecular Weight:
383.5899
IUPAC Name:
3-dodecoxy-10H-phenothiazine
InChI:
InChI=1S/C24H33NOS/c1-2-3-4-5-6-7-8-9-10-13-18-26-20-16-17-22-24(19-20)27-23-15-12-11-14-21(23)25-22/h11-12,14-17,19,25H,2-10,13,18H2,1H3
InChI Key:
YCYSAAAWOIOHDX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc2c(c1)Sc1c(N2)cccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.228g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.594g/mol
Monoisotopic Mass:
383.228g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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