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74682-48-7 | 5H-Benzo[a]phenothiazin-5-one, 9-(diethylamino)-
CAS No: 74682-48-7 Catalog No: AG005IFO MDL No:
Product Description
Catalog Number:
AG005IFO
Chemical Name:
5H-Benzo[a]phenothiazin-5-one, 9-(diethylamino)-
CAS Number:
74682-48-7
Molecular Formula:
C20H18N2OS
Molecular Weight:
334.4347
IUPAC Name:
9-(diethylamino)benzo[a]phenothiazin-5-one
InChI:
InChI=1S/C20H18N2OS/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3
InChI Key:
BZMBEOMEONTPFN-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)sc1c(n2)c2ccccc2c(=O)c1)CC
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.114g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.437g/mol
Monoisotopic Mass:
334.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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