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105306-36-3 | 2-Oxazolidinone,3-[3-(hexahydro-1H-azepin-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-,(4S-trans)- (9CI)
CAS No: 105306-36-3 Catalog No: AG007F4R MDL No:
Product Description
Catalog Number:
AG007F4R
Chemical Name:
2-Oxazolidinone,3-[3-(hexahydro-1H-azepin-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-,(4S-trans)- (9CI)
CAS Number:
105306-36-3
Molecular Formula:
C22H34N2O2
Molecular Weight:
358.5176
IUPAC Name:
(4S,5S)-3-[3-(azepan-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C22H34N2O2/c1-18(2)17-20-21(19-11-6-5-7-12-19)26-22(25)24(20)16-10-15-23-13-8-3-4-9-14-23/h5-7,11-12,18,20-21H,3-4,8-10,13-17H2,1-2H3/t20-,21-/m0/s1
InChI Key:
DQNMZSIJHFEYTM-SFTDATJTSA-N
SMILES:
CC(C[C@H]1[C@@H](OC(=O)N1CCCN1CCCCCC1)c1ccccc1)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
358.262g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.526g/mol
Monoisotopic Mass:
358.262g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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