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183444-01-1 | Carbamic acid, N-[3-phenyl-1-(phenylsulfonyl)propyl]-, phenylmethyl ester
CAS No: 183444-01-1 Catalog No: AG0027LH MDL No:
Product Description
Catalog Number:
AG0027LH
Chemical Name:
Carbamic acid, N-[3-phenyl-1-(phenylsulfonyl)propyl]-, phenylmethyl ester
CAS Number:
183444-01-1
Molecular Formula:
C23H23NO4S
Molecular Weight:
409.4980
IUPAC Name:
benzyl N-[1-(benzenesulfonyl)-3-phenylpropyl]carbamate
InChI:
InChI=1S/C23H23NO4S/c25-23(28-18-20-12-6-2-7-13-20)24-22(17-16-19-10-4-1-5-11-19)29(26,27)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,24,25)
InChI Key:
SZMMBWNWGYFKHW-UHFFFAOYSA-N
SMILES:
O=C(NC(S(=O)(=O)c1ccccc1)CCc1ccccc1)OCc1ccccc1
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.135g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.5g/mol
Monoisotopic Mass:
409.135g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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