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86727-07-3 | ETHYL 3-(BENZYL-(PHENYLTHIOCARBAMOYL)AMINO)PROPANOATE
CAS No: 86727-07-3 Catalog No: AG004K8S MDL No:
Product Description
Catalog Number:
AG004K8S
Chemical Name:
ETHYL 3-(BENZYL-(PHENYLTHIOCARBAMOYL)AMINO)PROPANOATE
CAS Number:
86727-07-3
Molecular Formula:
C19H22N2O2S
Molecular Weight:
342.4552
IUPAC Name:
ethyl 3-[benzyl(phenylcarbamothioyl)amino]propanoate
InChI:
InChI=1S/C19H22N2O2S/c1-2-23-18(22)13-14-21(15-16-9-5-3-6-10-16)19(24)20-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,20,24)
InChI Key:
ZVTHCWOEBMUPOP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCN(C(=S)Nc1ccccc1)Cc1ccccc1
NSC Number:
50192
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.14g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.457g/mol
Monoisotopic Mass:
342.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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