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38201-66-0 | 10H-Phenothiazine,3,7-bis(1-methyl-1-phenylethyl)-
CAS No: 38201-66-0 Catalog No: AG007B4P MDL No:
Product Description
Catalog Number:
AG007B4P
Chemical Name:
10H-Phenothiazine,3,7-bis(1-methyl-1-phenylethyl)-
CAS Number:
38201-66-0
Molecular Formula:
C30H29NS
Molecular Weight:
435.6230
IUPAC Name:
3,7-bis(2-phenylpropan-2-yl)-10H-phenothiazine
InChI:
InChI=1S/C30H29NS/c1-29(2,21-11-7-5-8-12-21)23-15-17-25-27(19-23)32-28-20-24(16-18-26(28)31-25)30(3,4)22-13-9-6-10-14-22/h5-20,31H,1-4H3
InChI Key:
ZKMLFEHQOYQZCB-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)(c1ccc2c(c1)Sc1c(N2)ccc(c1)C(c1ccccc1)(C)C)C
EC Number:
253-822-9
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.202g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.629g/mol
Monoisotopic Mass:
435.202g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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