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101001-37-0 | 1H-Pyrrole-1-acetic acid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, butyl ester
CAS No: 101001-37-0 Catalog No: AG0003H9 MDL No:
Product Description
Catalog Number:
AG0003H9
Chemical Name:
1H-Pyrrole-1-acetic acid, 2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-, butyl ester
CAS Number:
101001-37-0
Molecular Formula:
C27H28N2O4S
Molecular Weight:
476.5872
IUPAC Name:
butyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
InChI:
InChI=1S/C27H28N2O4S/c1-4-5-17-33-24(30)18-29-16-6-7-23(29)27-28-25(19-8-12-21(31-2)13-9-19)26(34-27)20-10-14-22(32-3)15-11-20/h6-16H,4-5,17-18H2,1-3H3
InChI Key:
MKUMYGVCZPNVMW-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Cn1cccc1c1nc(c(s1)c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.177g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.591g/mol
Monoisotopic Mass:
476.177g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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