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114667-28-6 | Benzamide, N-[[[2-(diphenylmethoxy)ethyl]amino]thioxomethyl]-
CAS No: 114667-28-6 Catalog No: AG000EZD MDL No:
Product Description
Catalog Number:
AG000EZD
Chemical Name:
Benzamide, N-[[[2-(diphenylmethoxy)ethyl]amino]thioxomethyl]-
CAS Number:
114667-28-6
Molecular Formula:
C23H22N2O2S
Molecular Weight:
390.4980
IUPAC Name:
N-(2-benzhydryloxyethylcarbamothioyl)benzamide
InChI:
InChI=1S/C23H22N2O2S/c26-22(20-14-8-3-9-15-20)25-23(28)24-16-17-27-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H2,24,25,26,28)
InChI Key:
BAIGEKFWRQIVGP-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccccc1)NCCOC(c1ccccc1)c1ccccc1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.14g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.501g/mol
Monoisotopic Mass:
390.14g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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