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133111-56-5 | 1H-Pyrrolizine, 6-(4-chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-
CAS No: 133111-56-5 Catalog No: AG00149Q MDL No:MFCD17015338
Product Description
Catalog Number:
AG00149Q
Chemical Name:
1H-Pyrrolizine, 6-(4-chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-
CAS Number:
133111-56-5
Molecular Formula:
C21H20ClN
Molecular Weight:
321.8432
MDL Number:
MFCD17015338
IUPAC Name:
6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-1,3-dihydropyrrolizine
InChI:
InChI=1S/C21H20ClN/c1-21(2)12-19-20(16-6-4-3-5-7-16)18(13-23(19)14-21)15-8-10-17(22)11-9-15/h3-11,13H,12,14H2,1-2H3
InChI Key:
RPWLGSCXSKWSCD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cn2c(c1c1ccccc1)CC(C2)(C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.128g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.848g/mol
Monoisotopic Mass:
321.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Investigations on cytotoxicity and anti-inflammatory potency of licofelone derivatives. | European journal of medicinal chemistry 20110301 |
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