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1134626-16-6 | 2-[(1,3-benzothiazol-2-yl)methoxy]-N-[(1-benzyl-3-phenyl-1H-pyrazol-4-yl)methyl]acetamide
CAS No: 1134626-16-6 Catalog No: AG01BTMU MDL No:MFCD10371068
Product Description
Catalog Number:
AG01BTMU
Chemical Name:
2-[(1,3-benzothiazol-2-yl)methoxy]-N-[(1-benzyl-3-phenyl-1H-pyrazol-4-yl)methyl]acetamide
CAS Number:
1134626-16-6
Molecular Formula:
C27H24N4O2S
Molecular Weight:
468.5701
MDL Number:
MFCD10371068
IUPAC Name:
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]acetamide
InChI:
InChI=1S/C27H24N4O2S/c32-25(18-33-19-26-29-23-13-7-8-14-24(23)34-26)28-15-22-17-31(16-20-9-3-1-4-10-20)30-27(22)21-11-5-2-6-12-21/h1-14,17H,15-16,18-19H2,(H,28,32)
InChI Key:
FZYPTQBZVOLTQK-UHFFFAOYSA-N
SMILES:
O=C(NCc1cn(nc1c1ccccc1)Cc1ccccc1)COCc1nc2c(s1)cccc2
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.162g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
468.575g/mol
Monoisotopic Mass:
468.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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