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497231-43-3 | 2-ethoxy-7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
CAS No: 497231-43-3 Catalog No: AG018WQ9 MDL No:
Product Description
Catalog Number:
AG018WQ9
Chemical Name:
2-ethoxy-7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
CAS Number:
497231-43-3
Molecular Formula:
C16H13NO3S3
Molecular Weight:
363.4743
IUPAC Name:
13-ethoxy-7,7-dimethyl-3-sulfanylidene-4,5-dithia-8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraene-9,10-dione
InChI:
InChI=1S/C16H13NO3S3/c1-4-20-7-5-8-10-13(22-23-15(10)21)16(2,3)17-11(8)9(6-7)12(18)14(17)19/h5-6H,4H2,1-3H3
InChI Key:
PJXSWVQBHZXMMH-UHFFFAOYSA-N
SMILES:
CCOc1cc2C(=O)C(=O)N3c2c(c1)c1c(=S)ssc1C3(C)C
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.006g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.464g/mol
Monoisotopic Mass:
363.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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