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136832-74-1 | 10H-Phenothiazine-10-propanoic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 136832-74-1 Catalog No: AG0012FH MDL No:
Product Description
Catalog Number:
AG0012FH
Chemical Name:
10H-Phenothiazine-10-propanoic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
136832-74-1
Molecular Formula:
C19H16N2O4S
Molecular Weight:
368.4063
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-phenothiazin-10-ylpropanoate
InChI:
InChI=1S/C19H16N2O4S/c22-17-9-10-18(23)21(17)25-19(24)11-12-20-13-5-1-3-7-15(13)26-16-8-4-2-6-14(16)20/h1-8H,9-12H2
InChI Key:
ORIHYEVTRZYTJF-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.407g/mol
Monoisotopic Mass:
368.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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