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115967-02-7 | 2(3H)-Benzoxazolone, 5-chloro-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]-
CAS No: 115967-02-7 Catalog No: AG000H8M MDL No:
Product Description
Catalog Number:
AG000H8M
Chemical Name:
2(3H)-Benzoxazolone, 5-chloro-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]-
CAS Number:
115967-02-7
Molecular Formula:
C20H21ClN2O2
Molecular Weight:
356.8459
IUPAC Name:
3-[(4-benzylpiperidin-1-yl)methyl]-5-chloro-1,3-benzoxazol-2-one
InChI:
InChI=1S/C20H21ClN2O2/c21-17-6-7-19-18(13-17)23(20(24)25-19)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2
InChI Key:
PWDIDOHDZCVMMV-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)n(CN1CCC(CC1)Cc1ccccc1)c(=O)o2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.129g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.85g/mol
Monoisotopic Mass:
356.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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