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5935-85-3 | 5-Benzothiazolemethanol,alpha,alpha,2-trimethyl-(7CI,8CI)
CAS No: 5935-85-3 Catalog No: AG00EOC3 MDL No:
Product Description
Catalog Number:
AG00EOC3
Chemical Name:
5-Benzothiazolemethanol,alpha,alpha,2-trimethyl-(7CI,8CI)
CAS Number:
5935-85-3
IUPAC Name:
N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-phenoxyacetamide
InChI:
InChI=1S/C27H25FN2O2/c28-24-15-13-23(14-16-24)18-29-17-7-10-25(29)20-30(19-22-8-3-1-4-9-22)27(31)21-32-26-11-5-2-6-12-26/h1-17H,18-21H2
InChI Key:
NGTUEGVJHJELSL-UHFFFAOYSA-N
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.19g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.507g/mol
Monoisotopic Mass:
428.19g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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