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10538-33-7 | 10H-Phenothiazine,3,7-bis(1,1,3,3-tetramethylbutyl)-
CAS No: 10538-33-7 Catalog No: AG00850F MDL No:
Product Description
Catalog Number:
AG00850F
Chemical Name:
10H-Phenothiazine,3,7-bis(1,1,3,3-tetramethylbutyl)-
CAS Number:
10538-33-7
Molecular Formula:
C28H41NS
Molecular Weight:
423.6968
IUPAC Name:
3,7-bis(2,4,4-trimethylpentan-2-yl)-10H-phenothiazine
InChI:
InChI=1S/C28H41NS/c1-25(2,3)17-27(7,8)19-11-13-21-23(15-19)30-24-16-20(12-14-22(24)29-21)28(9,10)18-26(4,5)6/h11-16,29H,17-18H2,1-10H3
InChI Key:
VZXJHQBFMJESBV-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)Sc1c(N2)ccc(c1)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C
EC Number:
234-113-3
Properties
Complexity:
528
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:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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