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99759-68-9 | N-(4-(HYDROXYMETHYL)-1-(2-(2-THIENYL)ETHYL)-PIPERIDIN-4-YL)-N-PHENYLPRO PANAMIDE
CAS No: 99759-68-9 Catalog No: AG003W2K MDL No:
Product Description
Catalog Number:
AG003W2K
Chemical Name:
N-(4-(HYDROXYMETHYL)-1-(2-(2-THIENYL)ETHYL)-PIPERIDIN-4-YL)-N-PHENYLPRO PANAMIDE
CAS Number:
99759-68-9
Molecular Formula:
C21H28N2O2S
Molecular Weight:
372.5242
IUPAC Name:
N-[4-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-yl]-N-phenylpropanamide
InChI:
InChI=1S/C21H28N2O2S/c1-2-20(25)23(19-6-4-3-5-7-19)21(17-24)10-13-22(14-11-21)12-8-18-9-15-26-16-18/h3-7,9,15-16,24H,2,8,10-14,17H2,1H3
InChI Key:
PIJNARLBQANMKU-UHFFFAOYSA-N
SMILES:
CCC(=O)N(C1(CO)CCN(CC1)CCc1cccs1)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.187g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.527g/mol
Monoisotopic Mass:
372.187g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| A facile method for preparation of [(2)h(3)]-sufentanil and its metabolites. | Chemical & pharmaceutical bulletin 20091201 |
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