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78518-10-2 | 4,11-Methanobenzofuro[3,2-e]cycloprop[h]isoquinolin-6(6aH)-one,1,2,3,4,4a,4b,5,5a-octahydro-8-methoxy-3-methyl-, [4R-(4a,4ab,4ba,5aa,6ab,11bS*)]- (9CI)
CAS No: 78518-10-2 Catalog No: AG005LAC MDL No:
Product Description
Catalog Number:
AG005LAC
Chemical Name:
4,11-Methanobenzofuro[3,2-e]cycloprop[h]isoquinolin-6(6aH)-one,1,2,3,4,4a,4b,5,5a-octahydro-8-methoxy-3-methyl-, [4R-(4a,4ab,4ba,5aa,6ab,11bS*)]- (9CI)
CAS Number:
78518-10-2
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
10-methoxy-4-methyl-12-oxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-one
InChI:
InChI=1S/C19H21NO3/c1-20-6-5-19-14-9-3-4-13(22-2)17(14)23-18(19)16(21)11-8-10(11)15(19)12(20)7-9/h3-4,10-12,15,18H,5-8H2,1-2H3
InChI Key:
KGGLEXDPKVFULR-UHFFFAOYSA-N
SMILES:
COc1ccc2c3c1OC1C43CCN(C(C2)C4C2C(C1=O)C2)C
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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