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750607-62-6 | 4-(ethoxymethylidene)-2-[4-(morpholine-4-sulfonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 750607-62-6 Catalog No: AG019HM9 MDL No:MFCD03656266
Product Description
Catalog Number:
AG019HM9
Chemical Name:
4-(ethoxymethylidene)-2-[4-(morpholine-4-sulfonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
750607-62-6
Molecular Formula:
C22H22N2O6S
Molecular Weight:
442.4849
MDL Number:
MFCD03656266
IUPAC Name:
4-(ethoxymethylidene)-2-(4-morpholin-4-ylsulfonylphenyl)isoquinoline-1,3-dione
InChI:
InChI=1S/C22H22N2O6S/c1-2-29-15-20-18-5-3-4-6-19(18)21(25)24(22(20)26)16-7-9-17(10-8-16)31(27,28)23-11-13-30-14-12-23/h3-10,15H,2,11-14H2,1H3
InChI Key:
ZMNXYNKVNAQOMR-UHFFFAOYSA-N
SMILES:
CCOC=C1C(=O)N(c2ccc(cc2)S(=O)(=O)N2CCOCC2)C(=O)c2c1cccc2
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.12g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.486g/mol
Monoisotopic Mass:
442.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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