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147770-06-7 | Benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-, ethyl ester
CAS No: 147770-06-7 Catalog No: AG001F6L MDL No:MFCD22572587
Product Description
Catalog Number:
AG001F6L
Chemical Name:
Benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-, ethyl ester
CAS Number:
147770-06-7
Molecular Formula:
C29H40N2O4
Molecular Weight:
480.6389
MDL Number:
MFCD22572587
IUPAC Name:
ethyl 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoate
InChI:
InChI=1S/C29H40N2O4/c1-5-34-27-19-22(14-15-24(27)29(33)35-6-2)20-28(32)30-25(18-21(3)4)23-12-8-9-13-26(23)31-16-10-7-11-17-31/h8-9,12-15,19,21,25H,5-7,10-11,16-18,20H2,1-4H3,(H,30,32)/t25-/m0/s1
InChI Key:
FTCMVLQJMIXDSI-VWLOTQADSA-N
SMILES:
CCOc1cc(ccc1C(=O)OCC)CC(=O)N[C@H](c1ccccc1N1CCCCC1)CC(C)C
EC Number:
604-604-0
UNII:
3G7O9LRT91
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
480.299g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
480.649g/mol
Monoisotopic Mass:
480.299g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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