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2085689-69-4 | 2-[(dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(morpholin-4-yl)phenyl]acetamide
CAS No: 2085689-69-4 Catalog No: AG01FOP3 MDL No:
Product Description
Catalog Number:
AG01FOP3
Chemical Name:
2-[(dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(morpholin-4-yl)phenyl]acetamide
CAS Number:
2085689-69-4
IUPAC Name:
2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
InChI:
InChI=1S/C28H29N5O2S/c34-27(29-24-11-13-25(14-12-24)32-15-17-35-18-16-32)21-36-28-31-30-26(19-22-7-3-1-4-8-22)33(28)20-23-9-5-2-6-10-23/h1-14H,15-21H2,(H,29,34)
InChI Key:
BWXLXXIWWCHECM-UHFFFAOYSA-N
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.204g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
499.633g/mol
Monoisotopic Mass:
499.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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