Home Carboxys 6-tert-Butyl 2-ethyl 7,8-dihydro-4h-thiazolo[4,5-d]azepine-2,6(5h)-dicarboxylate

6-tert-Butyl 2-ethyl 7,8-dihydro-4h-thiazolo[4,5-d]azepine-2,6(5h)-dicarboxylate

CAS No.:
1251012-02-8
Catalog Number:
AG00HI1A
Molecular Formula:
C15H22N2O4S
Molecular Weight:
326.4112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$336
- +
250mg
95%
In Stock USA
United States
$630
- +
Product Description
Catalog Number:
AG00HI1A
Chemical Name:
6-tert-Butyl 2-ethyl 7,8-dihydro-4h-thiazolo[4,5-d]azepine-2,6(5h)-dicarboxylate
CAS Number:
1251012-02-8
Molecular Formula:
C15H22N2O4S
Molecular Weight:
326.4112
MDL Number:
MFCD15530218
IUPAC Name:
6-O-tert-butyl 2-O-ethyl 4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxylate
InChI:
InChI=1S/C15H22N2O4S/c1-5-20-13(18)12-16-10-6-8-17(9-7-11(10)22-12)14(19)21-15(2,3)4/h5-9H2,1-4H3
InChI Key:
ZJADFVCBCTWNLC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2c(s1)CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.13g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.411g/mol
Monoisotopic Mass:
326.13g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties