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91991-43-4 | 10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N'-dimethyl-
CAS No: 91991-43-4 Catalog No: AG006GJH MDL No:
Product Description
Catalog Number:
AG006GJH
Chemical Name:
10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N'-dimethyl-
CAS Number:
91991-43-4
Molecular Formula:
C21H19N3OS
Molecular Weight:
361.4601
IUPAC Name:
[3,7-bis(methylamino)phenothiazin-10-yl]-phenylmethanone
InChI:
InChI=1S/C21H19N3OS/c1-22-15-8-10-17-19(12-15)26-20-13-16(23-2)9-11-18(20)24(17)21(25)14-6-4-3-5-7-14/h3-13,22-23H,1-2H3
InChI Key:
NRCSUVSLEODLTO-UHFFFAOYSA-N
SMILES:
CNc1ccc2c(c1)Sc1c(N2C(=O)c2ccccc2)ccc(c1)NC
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.125g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.463g/mol
Monoisotopic Mass:
361.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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