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129794-24-7 | Carbamic acid, dimethyl-, 5,6-dihydro-6-oxobenzofuro[3,2-c]quinoline-3,9-diyl ester (9CI)
CAS No: 129794-24-7 Catalog No: AG000TP8 MDL No:
Product Description
Catalog Number:
AG000TP8
Chemical Name:
Carbamic acid, dimethyl-, 5,6-dihydro-6-oxobenzofuro[3,2-c]quinoline-3,9-diyl ester (9CI)
CAS Number:
129794-24-7
Molecular Formula:
C21H19N3O6
Molecular Weight:
409.3921
IUPAC Name:
[9-(dimethylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C21H19N3O6/c1-23(2)20(26)28-11-5-7-13-15(9-11)22-19(25)17-14-8-6-12(29-21(27)24(3)4)10-16(14)30-18(13)17/h5-10H,1-4H3,(H,22,25)
InChI Key:
IHQFYMAOIYJTBA-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Oc1ccc2c(c1)[nH]c(=O)c1c2oc2c1ccc(c2)OC(=O)N(C)C
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.127g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.398g/mol
Monoisotopic Mass:
409.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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