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Home > Indoles and Oxindole > 1198285-06-1
1198285-06-1 | Spiro[3H-indole-3,4'-piperidine], 1,2-dihydro-7-methoxy-1'-(phenylmethyl)-
CAS No: 1198285-06-1 Catalog No: AG000PQK MDL No:
Product Description
Catalog Number:
AG000PQK
Chemical Name:
Spiro[3H-indole-3,4'-piperidine], 1,2-dihydro-7-methoxy-1'-(phenylmethyl)-
CAS Number:
1198285-06-1
Molecular Formula:
C20H24N2O
Molecular Weight:
308.4174
IUPAC Name:
ethyl 2-[[propan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C18H20F3N3O3S/c1-4-27-16(25)14-10-28-15(22-14)9-24(11(2)3)17(26)23-13-8-6-5-7-12(13)18(19,20)21/h5-8,10-11H,4,9H2,1-3H3,(H,23,26)
InChI Key:
SSBUUDRMIOBAFI-UHFFFAOYSA-N
SMILES:
COc1cccc2c1NCC12CCN(CC1)Cc1ccccc1
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.118g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.431g/mol
Monoisotopic Mass:
415.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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