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6465-39-0 | Dicyclohepta[b,d]pyridine,7-ethyl-1,2,3,4,5,8,9,10,11,12-decahydro-
CAS No: 6465-39-0 Catalog No: AG00H917 MDL No:
Product Description
Catalog Number:
AG00H917
Chemical Name:
Dicyclohepta[b,d]pyridine,7-ethyl-1,2,3,4,5,8,9,10,11,12-decahydro-
CAS Number:
6465-39-0
Molecular Formula:
C31H30N2O5S
Molecular Weight:
542.6453
IUPAC Name:
ethyl 5-(2-methoxynaphthalen-1-yl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
InChI:
InChI=1S/C31H30N2O5S/c1-5-10-23-27(30(35)38-6-2)28(26-22-14-8-7-12-20(22)15-16-24(26)37-4)33-29(34)25(39-31(33)32-23)18-19-11-9-13-21(17-19)36-3/h7-9,11-18,28H,5-6,10H2,1-4H3
InChI Key:
JORKQNASMPJDPL-UHFFFAOYSA-N
SMILES:
CCCC1=C(C(=O)OCC)C(n2c(=N1)sc(=Cc1cccc(c1)OC)c2=O)c1c(OC)ccc2c1cccc2
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.188g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
542.65g/mol
Monoisotopic Mass:
542.188g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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