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90052-58-7 | 1H-Phenothiazin-4(10H)-one, 7-ethoxy-2,3-dihydro-
CAS No: 90052-58-7 Catalog No: AG006KKH MDL No:
Product Description
Catalog Number:
AG006KKH
Chemical Name:
1H-Phenothiazin-4(10H)-one, 7-ethoxy-2,3-dihydro-
CAS Number:
90052-58-7
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
IUPAC Name:
7-ethoxy-1,2,3,10-tetrahydrophenothiazin-4-one
InChI:
InChI=1S/C14H15NO2S/c1-2-17-9-6-7-10-13(8-9)18-14-11(15-10)4-3-5-12(14)16/h6-8,15H,2-5H2,1H3
InChI Key:
FEPODRPFWVKUEN-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)SC1=C(N2)CCCC1=O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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