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1312008-10-8 | N-(2-{[(4-tert-butylphenyl)formamido]sulfonyl}phenyl)-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-
CAS No: 1312008-10-8 Catalog No: AG01F2OS MDL No:
Product Description
Catalog Number:
AG01F2OS
Chemical Name:
N-(2-{[(4-tert-butylphenyl)formamido]sulfonyl}phenyl)-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-
CAS Number:
1312008-10-8
Molecular Formula:
C34H28F3N3O4S2
Molecular Weight:
663.7290
IUPAC Name:
N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
InChI:
InChI=1S/C34H28F3N3O4S2/c1-33(2,3)25-16-14-23(15-17-25)31(42)40-46(43,44)29-7-5-4-6-27(29)38-30(41)22-8-10-24(11-9-22)32-39-28(20-45-32)21-12-18-26(19-13-21)34(35,36)37/h4-20H,1-3H3,(H,38,41)(H,40,42)
InChI Key:
ZXTNKHARCGAAAX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)c1scc(n1)c1ccc(cc1)C(F)(F)F)Nc1ccccc1S(=O)(=O)NC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
663.147g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
663.73g/mol
Monoisotopic Mass:
663.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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