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159702-07-5 | Benzenecarboximidamide, 3-[(2S)-3-(4-methyl-1-piperidinyl)-2-[(2-naphthalenylsulfonyl)amino]-3-oxopropyl]-
CAS No: 159702-07-5 Catalog No: AG001RC0 MDL No:
Product Description
Catalog Number:
AG001RC0
Chemical Name:
Benzenecarboximidamide, 3-[(2S)-3-(4-methyl-1-piperidinyl)-2-[(2-naphthalenylsulfonyl)amino]-3-oxopropyl]-
CAS Number:
159702-07-5
Molecular Formula:
C26H30N4O3S
Molecular Weight:
478.6064
IUPAC Name:
3-[(2S)-3-(4-methylpiperidin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide
InChI:
InChI=1S/C26H30N4O3S/c1-18-11-13-30(14-12-18)26(31)24(16-19-5-4-8-22(15-19)25(27)28)29-34(32,33)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17-18,24,29H,11-14,16H2,1H3,(H3,27,28)/t24-/m0/s1
InChI Key:
NXVHWZWNOYBQDB-DEOSSOPVSA-N
SMILES:
CC1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)cccc2)Cc1cccc(c1)C(=N)N
Properties
Complexity:
818
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
478.204g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
478.611g/mol
Monoisotopic Mass:
478.204g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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