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84779-95-3 | 7-METHOXY-3-METHYL-5-((4-METHYLPHENYL)SULFONYL)-2,3,4,5-TETRAHYDRO-1H-PHOSPHOLO(2,3-C)QUINOLINE 3-OXIDE
CAS No: 84779-95-3 Catalog No: AG008GLE MDL No:
Product Description
Catalog Number:
AG008GLE
Chemical Name:
7-METHOXY-3-METHYL-5-((4-METHYLPHENYL)SULFONYL)-2,3,4,5-TETRAHYDRO-1H-PHOSPHOLO(2,3-C)QUINOLINE 3-OXIDE
CAS Number:
84779-95-3
Molecular Formula:
C20H22NO4PS
Molecular Weight:
403.4317
IUPAC Name:
7-methoxy-3-methyl-5-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-phospholo[2,3-c]quinoline 3-oxide
InChI:
InChI=1S/C20H22NO4PS/c1-14-4-7-16(8-5-14)27(23,24)21-13-20-18(10-11-26(20,3)22)17-9-6-15(25-2)12-19(17)21/h4-9,12H,10-11,13H2,1-3H3
InChI Key:
NPFUOHDZVFZKEM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)N(CC1=C2CCP1(=O)C)S(=O)(=O)c1ccc(cc1)C
UNII:
Z8WRAH4XTF
NSC Number:
273920
Properties
Complexity:
763
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.101g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.433g/mol
Monoisotopic Mass:
403.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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