200,000+ products from a single source!
sales@angenechem.com
887587-05-5 | 1-Azetidinecarboxylicacid, 3-[[4-(aminocarbonyl)phenyl]sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 887587-05-5 Catalog No: AG004BWS MDL No:
Product Description
Catalog Number:
AG004BWS
Chemical Name:
1-Azetidinecarboxylicacid, 3-[[4-(aminocarbonyl)phenyl]sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
887587-05-5
Molecular Formula:
C15H20N2O5S
Molecular Weight:
340.3947
IUPAC Name:
tert-butyl 3-(4-carbamoylphenyl)sulfonylazetidine-1-carboxylate
InChI:
InChI=1S/C15H20N2O5S/c1-15(2,3)22-14(19)17-8-12(9-17)23(20,21)11-6-4-10(5-7-11)13(16)18/h4-7,12H,8-9H2,1-3H3,(H2,16,18)
InChI Key:
SLMLAFUEAKTIIU-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)S(=O)(=O)c1ccc(cc1)C(=O)N)OC(C)(C)C
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.394g/mol
Monoisotopic Mass:
340.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.