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6943-27-7 | (4s)-4-ethyl-4-hydroxy-6,12-dihydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,8,14(4h)-trione
CAS No: 6943-27-7 Catalog No: AG005ZCC MDL No:
Product Description
Catalog Number:
AG005ZCC
Chemical Name:
(4s)-4-ethyl-4-hydroxy-6,12-dihydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,8,14(4h)-trione
CAS Number:
6943-27-7
Molecular Formula:
C20H16N2O5
Molecular Weight:
364.3514
IUPAC Name:
(19S)-19-ethyl-6,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
InChI:
InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-3-4-12(23)6-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
InChI Key:
KXJNTORVTHBKGW-FQEVSTJZSA-N
SMILES:
CC[C@@]1(O)C(=O)OCc2c1cc1c3[nH]c4cc(=O)ccc4cc3Cn1c2=O
Properties
Complexity:
774
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
364.106g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.357g/mol
Monoisotopic Mass:
364.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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