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104595-91-7 | 2-Oxazolidinone,4-(2-methylpropyl)-5-phenyl-3-[3-(1-piperidinyl)propyl]-, (4S-trans)- (9CI)
CAS No: 104595-91-7 Catalog No: AG0085TQ MDL No:
Product Description
Catalog Number:
AG0085TQ
Chemical Name:
2-Oxazolidinone,4-(2-methylpropyl)-5-phenyl-3-[3-(1-piperidinyl)propyl]-, (4S-trans)- (9CI)
CAS Number:
104595-91-7
Molecular Formula:
C21H32N2O2
Molecular Weight:
344.4910
IUPAC Name:
(4S,5S)-4-(2-methylpropyl)-5-phenyl-3-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C21H32N2O2/c1-17(2)16-19-20(18-10-5-3-6-11-18)25-21(24)23(19)15-9-14-22-12-7-4-8-13-22/h3,5-6,10-11,17,19-20H,4,7-9,12-16H2,1-2H3/t19-,20-/m0/s1
InChI Key:
AXRKILQEHPABMB-PMACEKPBSA-N
SMILES:
CC(C[C@H]1[C@@H](OC(=O)N1CCCN1CCCCC1)c1ccccc1)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
344.246g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.499g/mol
Monoisotopic Mass:
344.246g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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