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253450-12-3 | 6-{[2-(4-BENZYLPIPERIDIN-1-YL)ETHYL]SULFINYL}-1,3-BENZOXAZOL-2(3H)-ONE
CAS No: 253450-12-3 Catalog No: AG00BM1Z MDL No:
Product Description
Catalog Number:
AG00BM1Z
Chemical Name:
6-{[2-(4-BENZYLPIPERIDIN-1-YL)ETHYL]SULFINYL}-1,3-BENZOXAZOL-2(3H)-ONE
CAS Number:
253450-12-3
IUPAC Name:
6-[2-(4-benzylpiperidin-1-yl)ethylsulfinyl]-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C21H24N2O3S/c24-21-22-19-7-6-18(15-20(19)26-21)27(25)13-12-23-10-8-17(9-11-23)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14H2,(H,22,24)
InChI Key:
RXYVUTNKSXMMJS-UHFFFAOYSA-N
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.494g/mol
Monoisotopic Mass:
384.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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