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53056-78-3 | N-(2-BUTYLSULFANYLETHYL)-2-METHOXY-PHENOTHIAZINE-10-CARBOXAMIDE
CAS No: 53056-78-3 Catalog No: AG006TRJ MDL No:
Product Description
Catalog Number:
AG006TRJ
Chemical Name:
N-(2-BUTYLSULFANYLETHYL)-2-METHOXY-PHENOTHIAZINE-10-CARBOXAMIDE
CAS Number:
53056-78-3
Molecular Formula:
C20H24N2O2S2
Molecular Weight:
388.5468
IUPAC Name:
N-(2-butylsulfanylethyl)-2-methoxyphenothiazine-10-carboxamide
InChI:
InChI=1S/C20H24N2O2S2/c1-3-4-12-25-13-11-21-20(23)22-16-7-5-6-8-18(16)26-19-10-9-15(24-2)14-17(19)22/h5-10,14H,3-4,11-13H2,1-2H3,(H,21,23)
InChI Key:
KFTGMCCYQHDELC-UHFFFAOYSA-N
SMILES:
CCCCSCCNC(=O)N1c2ccccc2Sc2c1cc(OC)cc2
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.128g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.544g/mol
Monoisotopic Mass:
388.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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