Home Carboxys tert-Butyl 4-amino-1-benzyl-2,2--dioxothia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate

tert-Butyl 4-amino-1-benzyl-2,2--dioxothia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate

CAS No.:
1255574-63-0
Catalog Number:
AG009BRX
Molecular Formula:
C19H27N3O4S
Molecular Weight:
393.5004
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$275
- +
1g
96%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG009BRX
Chemical Name:
tert-Butyl 4-amino-1-benzyl-2,2--dioxothia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CAS Number:
1255574-63-0
Molecular Formula:
C19H27N3O4S
Molecular Weight:
393.5004
MDL Number:
MFCD17214271
IUPAC Name:
tert-butyl 4-amino-1-benzyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
InChI:
InChI=1S/C19H27N3O4S/c1-18(2,3)26-17(23)21-11-9-19(10-12-21)16(20)14-27(24,25)22(19)13-15-7-5-4-6-8-15/h4-8,14H,9-13,20H2,1-3H3
InChI Key:
SDBVFNCPZQNJDB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)C(=CS(=O)(=O)N2Cc1ccccc1)N)OC(C)(C)C
Properties
Complexity:
691  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.172g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
393.502g/mol
Monoisotopic Mass:
393.172g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties