200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 124784-31-2
124784-31-2 | Carbamic acid, N-[4-[[[(2R,4R)-2-(1H-imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]thio]phenyl]-, ethyl ester, rel-
CAS No: 124784-31-2 Catalog No: AG000MQ2 MDL No:
Product Description
Catalog Number:
AG000MQ2
Chemical Name:
Carbamic acid, N-[4-[[[(2R,4R)-2-(1H-imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methyl]thio]phenyl]-, ethyl ester, rel-
CAS Number:
124784-31-2
Molecular Formula:
C24H27N3O5S
Molecular Weight:
469.5533
IUPAC Name:
ethyl N-[4-[[(2R,4R)-2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate
InChI:
InChI=1S/C24H27N3O5S/c1-3-30-23(28)26-19-6-10-22(11-7-19)33-15-21-14-31-24(32-21,16-27-13-12-25-17-27)18-4-8-20(29-2)9-5-18/h4-13,17,21H,3,14-16H2,1-2H3,(H,26,28)/t21-,24+/m1/s1
InChI Key:
KLEPCGBEXOCIGS-QPPBQGQZSA-N
SMILES:
CCOC(=O)Nc1ccc(cc1)SC[C@H]1CO[C@](O1)(Cn1cncc1)c1ccc(cc1)OC
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
469.167g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
469.556g/mol
Monoisotopic Mass:
469.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.