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380453-39-4 | N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(morpholine-4-sulfonyl)benzamide
CAS No: 380453-39-4 Catalog No: AG01B8MG MDL No:MFCD03153490
Product Description
Catalog Number:
AG01B8MG
Chemical Name:
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(morpholine-4-sulfonyl)benzamide
CAS Number:
380453-39-4
Molecular Formula:
C24H27N3O4S2
Molecular Weight:
485.6189
MDL Number:
MFCD03153490
IUPAC Name:
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
InChI:
InChI=1S/C24H27N3O4S2/c1-24(2,3)19-8-4-17(5-9-19)21-16-32-23(25-21)26-22(28)18-6-10-20(11-7-18)33(29,30)27-12-14-31-15-13-27/h4-11,16H,12-15H2,1-3H3,(H,25,26,28)
InChI Key:
CVCDLTHQKQHMTK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)Nc1scc(n1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.144g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
485.617g/mol
Monoisotopic Mass:
485.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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