200,000+ products from a single source!
sales@angenechem.com
174801-33-3 | Carbamic acid, N-[(1S,2S)-3-chloro-2-hydroxy-1-[[4-(phenylmethoxy)phenyl]methyl]propyl]-, 1,1-dimethylethyl ester
CAS No: 174801-33-3 Catalog No: AG001ZYW MDL No:
Product Description
Catalog Number:
AG001ZYW
Chemical Name:
Carbamic acid, N-[(1S,2S)-3-chloro-2-hydroxy-1-[[4-(phenylmethoxy)phenyl]methyl]propyl]-, 1,1-dimethylethyl ester
CAS Number:
174801-33-3
Molecular Formula:
C22H28ClNO4
Molecular Weight:
405.9150
IUPAC Name:
tert-butyl N-[(2S,3S)-4-chloro-3-hydroxy-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
InChI:
InChI=1S/C22H28ClNO4/c1-22(2,3)28-21(26)24-19(20(25)14-23)13-16-9-11-18(12-10-16)27-15-17-7-5-4-6-8-17/h4-12,19-20,25H,13-15H2,1-3H3,(H,24,26)/t19-,20+/m0/s1
InChI Key:
ANUFXNUKGPALOJ-VQTJNVASSA-N
SMILES:
ClC[C@H]([C@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C)O
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
405.171g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.919g/mol
Monoisotopic Mass:
405.171g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.