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2490-83-7 | 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7,7a,8-tetrahydro-11,12-dimethoxy-7-methyl-, (7aS)-
CAS No: 2490-83-7 Catalog No: AG002PSX MDL No:
Product Description
Catalog Number:
AG002PSX
Chemical Name:
5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7,7a,8-tetrahydro-11,12-dimethoxy-7-methyl-, (7aS)-
CAS Number:
2490-83-7
Molecular Formula:
C20H21NO4
Molecular Weight:
339.3850
IUPAC Name:
17,18-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
InChI:
InChI=1S/C20H21NO4/c1-21-7-6-12-9-15-20(25-10-24-15)18-16(12)13(21)8-11-4-5-14(22-2)19(23-3)17(11)18/h4-5,9,13H,6-8,10H2,1-3H3
InChI Key:
GDVPELGSXTWKDA-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc2c1c1c3OCOc3cc3c1[C@H](C2)N(C)CC3
NSC Number:
117866
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.391g/mol
Monoisotopic Mass:
339.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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