200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1140495-89-1
1140495-89-1 | 1-Pyrrolidinecarboxylic acid, 2-[4-[(4-chlorophenyl)Methyl]-5-Methyl-4H-1,2,4-triazol-3-yl]-, 1,1-diMethylethyl ester, (2R)-
CAS No: 1140495-89-1 Catalog No: AG000AEF MDL No:
Product Description
Catalog Number:
AG000AEF
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[4-[(4-chlorophenyl)Methyl]-5-Methyl-4H-1,2,4-triazol-3-yl]-, 1,1-diMethylethyl ester, (2R)-
CAS Number:
1140495-89-1
Molecular Formula:
C19H25ClN4O2
Molecular Weight:
376.8804
IUPAC Name:
tert-butyl (2R)-2-[4-[(4-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C19H25ClN4O2/c1-13-21-22-17(24(13)12-14-7-9-15(20)10-8-14)16-6-5-11-23(16)18(25)26-19(2,3)4/h7-10,16H,5-6,11-12H2,1-4H3/t16-/m1/s1
InChI Key:
FNWDHSYGCHIINF-MRXNPFEDSA-N
SMILES:
Clc1ccc(cc1)Cn1c(C)nnc1[C@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
376.167g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.885g/mol
Monoisotopic Mass:
376.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.