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17831-98-0 | 10H-Phenothiazine-10-propanamine, 2-chloro-7,8-dimethoxy-N,N-dimethyl-
CAS No: 17831-98-0 Catalog No: AG0025XH MDL No:
Product Description
Catalog Number:
AG0025XH
Chemical Name:
10H-Phenothiazine-10-propanamine, 2-chloro-7,8-dimethoxy-N,N-dimethyl-
CAS Number:
17831-98-0
Molecular Formula:
C19H23ClN2O2S
Molecular Weight:
378.9161
IUPAC Name:
3-(8-chloro-2,3-dimethoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
InChI:
InChI=1S/C19H23ClN2O2S/c1-21(2)8-5-9-22-14-10-13(20)6-7-18(14)25-19-12-17(24-4)16(23-3)11-15(19)22/h6-7,10-12H,5,8-9H2,1-4H3
InChI Key:
BQDFHACIOUBBDF-UHFFFAOYSA-N
SMILES:
COc1cc2Sc3ccc(cc3N(c2cc1OC)CCCN(C)C)Cl
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.915g/mol
Monoisotopic Mass:
378.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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