Home Carbonyls CarbaMic acid, N-[3-[5-(2,5-difluorophenyl)-2,3-dihydro-3-[(MethoxyMethylaMino)carbonyl]-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-, 1,1-diMethylethyl ester

CarbaMic acid, N-[3-[5-(2,5-difluorophenyl)-2,3-dihydro-3-[(MethoxyMethylaMino)carbonyl]-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-, 1,1-diMethylethyl ester

CAS No.:
1079843-60-9
Catalog Number:
AG008TEW
Molecular Formula:
C25H30F2N4O4S
Molecular Weight:
520.5919
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Product Description
Catalog Number:
AG008TEW
Chemical Name:
CarbaMic acid, N-[3-[5-(2,5-difluorophenyl)-2,3-dihydro-3-[(MethoxyMethylaMino)carbonyl]-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-, 1,1-diMethylethyl ester
CAS Number:
1079843-60-9
Molecular Formula:
C25H30F2N4O4S
Molecular Weight:
520.5919
MDL Number:
MFCD23142966
IUPAC Name:
tert-butyl N-[3-[5-(2,5-difluorophenyl)-3-[methoxy(methyl)carbamoyl]-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]carbamate
InChI:
InChI=1S/C25H30F2N4O4S/c1-24(2,3)35-22(32)28-15-9-14-25(17-10-7-6-8-11-17)31(23(33)30(4)34-5)29-21(36-25)19-16-18(26)12-13-20(19)27/h6-8,10-13,16H,9,14-15H2,1-5H3,(H,28,32)
InChI Key:
ODPINCLJBXCQIN-UHFFFAOYSA-N
SMILES:
CON(C(=O)N1N=C(SC1(CCCNC(=O)OC(C)(C)C)c1ccccc1)c1cc(F)ccc1F)C
Properties
Complexity:
805  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.196g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
520.596g/mol
Monoisotopic Mass:
520.196g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties