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158623-12-2 | 2H-1,3,4-Thiadiazin-2-one,5-[1-[(3,4-dimethoxyphenyl)(ethylimino)methyl]-1,2,3,4-tetrahydro-6-quinolinyl]-3,6-dihydro-6-methyl-,(+)-
CAS No: 158623-12-2 Catalog No: AG007EDF MDL No:
Product Description
Catalog Number:
AG007EDF
Chemical Name:
2H-1,3,4-Thiadiazin-2-one,5-[1-[(3,4-dimethoxyphenyl)(ethylimino)methyl]-1,2,3,4-tetrahydro-6-quinolinyl]-3,6-dihydro-6-methyl-,(+)-
CAS Number:
158623-12-2
Molecular Formula:
C24H28N4O3S
Molecular Weight:
452.5691
IUPAC Name:
5-[1-[C-(3,4-dimethoxyphenyl)-N-ethylcarbonimidoyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C24H28N4O3S/c1-5-25-23(18-9-11-20(30-3)21(14-18)31-4)28-12-6-7-16-13-17(8-10-19(16)28)22-15(2)32-24(29)27-26-22/h8-11,13-15H,5-7,12H2,1-4H3,(H,27,29)
InChI Key:
NNDBXESVYQQFSH-UHFFFAOYSA-N
SMILES:
CC/N=C(/N1CCCc2c1ccc(c2)C1=NNC(=O)SC1C)\c1ccc(c(c1)OC)OC
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.188g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
452.573g/mol
Monoisotopic Mass:
452.188g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Oxygen wastage of stunned myocardium in vivo is due to an increased oxygen cost of contractility and a decreased myofibrillar efficiency. | Cardiovascular research 20010701 |
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