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101001-51-8 | 1H-Pyrrole-1-acetic acid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, phenylmethyl ester
CAS No: 101001-51-8 Catalog No: AG0003H7 MDL No:
Product Description
Catalog Number:
AG0003H7
Chemical Name:
1H-Pyrrole-1-acetic acid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, phenylmethyl ester
CAS Number:
101001-51-8
Molecular Formula:
C30H26N2O4S
Molecular Weight:
510.6034
IUPAC Name:
benzyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
InChI:
InChI=1S/C30H26N2O4S/c1-34-24-14-10-22(11-15-24)28-29(23-12-16-25(35-2)17-13-23)37-30(31-28)26-9-6-18-32(26)19-27(33)36-20-21-7-4-3-5-8-21/h3-18H,19-20H2,1-2H3
InChI Key:
ODFKSZVLPPXHBS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)c1cccn1CC(=O)OCc1ccccc1
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.161g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
510.608g/mol
Monoisotopic Mass:
510.161g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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