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53056-76-1 | 2-METHOXY-N-(2-((ISOPROPYL)THIO)ETHYL)-10H-PHENOTHIAZINE-10-CARBOXAMIDE
CAS No: 53056-76-1 Catalog No: AG006TRK MDL No:
Product Description
Catalog Number:
AG006TRK
Chemical Name:
2-METHOXY-N-(2-((ISOPROPYL)THIO)ETHYL)-10H-PHENOTHIAZINE-10-CARBOXAMIDE
CAS Number:
53056-76-1
Molecular Formula:
C19H22N2O2S2
Molecular Weight:
374.5202
IUPAC Name:
2-methoxy-N-(2-propan-2-ylsulfanylethyl)phenothiazine-10-carboxamide
InChI:
InChI=1S/C19H22N2O2S2/c1-13(2)24-11-10-20-19(22)21-15-6-4-5-7-17(15)25-18-9-8-14(23-3)12-16(18)21/h4-9,12-13H,10-11H2,1-3H3,(H,20,22)
InChI Key:
WNMJDYZHMVZSAZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)N(C(=O)NCCSC(C)C)c1c(S2)cccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.112g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.517g/mol
Monoisotopic Mass:
374.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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