Home Carboxys ethyl 2-[(4-{[(tert-butoxy)carbonyl]amino}phenyl)methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[(4-{[(tert-butoxy)carbonyl]amino}phenyl)methyl]-1,3-thiazole-4-carboxylate

CAS No.:
1461708-07-5
Catalog Number:
AG01A6AE
Molecular Formula:
C18H22N2O4S
Molecular Weight:
362.4433
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Product Description
Catalog Number:
AG01A6AE
Chemical Name:
ethyl 2-[(4-{[(tert-butoxy)carbonyl]amino}phenyl)methyl]-1,3-thiazole-4-carboxylate
CAS Number:
1461708-07-5
Molecular Formula:
C18H22N2O4S
Molecular Weight:
362.4433
MDL Number:
MFCD25371767
IUPAC Name:
ethyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C18H22N2O4S/c1-5-23-16(21)14-11-25-15(20-14)10-12-6-8-13(9-7-12)19-17(22)24-18(2,3)4/h6-9,11H,5,10H2,1-4H3,(H,19,22)
InChI Key:
ZDHIORWQXDEYRN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)Cc1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Complexity:
459  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.13g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
362.444g/mol
Monoisotopic Mass:
362.13g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties