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114462-29-2 | Naphth[2,1-f]isoquinolin-1(2H)-one, 2-chloro-3,4,4a,4b,5,6,10b,11,12,12a-decahydro-8-methoxy-12a-methyl-, (4aS,4bR,10bS,12aS)-
CAS No: 114462-29-2 Catalog No: AG000EFP MDL No:
Product Description
Catalog Number:
AG000EFP
Chemical Name:
Naphth[2,1-f]isoquinolin-1(2H)-one, 2-chloro-3,4,4a,4b,5,6,10b,11,12,12a-decahydro-8-methoxy-12a-methyl-, (4aS,4bR,10bS,12aS)-
CAS Number:
114462-29-2
Molecular Formula:
C19H24ClNO2
Molecular Weight:
333.8524
IUPAC Name:
(4aS,4bR,10bS,12aS)-2-chloro-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]isoquinolin-1-one
InChI:
InChI=1S/C19H24ClNO2/c1-19-9-7-15-14-6-4-13(23-2)11-12(14)3-5-16(15)17(19)8-10-21(20)18(19)22/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
InChI Key:
IFCLUGMVWHEXEM-VXNCWWDNSA-N
SMILES:
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCN(C2=O)Cl)C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
333.15g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.856g/mol
Monoisotopic Mass:
333.15g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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