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80687-19-0 | 2-[(2-chloroethyl-nitroso-carbamoyl)amino]-N,3-diphenyl-propanamide
CAS No: 80687-19-0 Catalog No: AG005JXN MDL No:
Product Description
Catalog Number:
AG005JXN
Chemical Name:
2-[(2-chloroethyl-nitroso-carbamoyl)amino]-N,3-diphenyl-propanamide
CAS Number:
80687-19-0
Molecular Formula:
C18H19ClN4O3
Molecular Weight:
374.8215
IUPAC Name:
2-[[2-chloroethyl(nitroso)carbamoyl]amino]-N,3-diphenylpropanamide
InChI:
InChI=1S/C18H19ClN4O3/c19-11-12-23(22-26)18(25)21-16(13-14-7-3-1-4-8-14)17(24)20-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,25)
InChI Key:
YHJIBICWNASFBW-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)NC(C(=O)Nc1ccccc1)Cc1ccccc1)N=O
NSC Number:
356567
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.115g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.825g/mol
Monoisotopic Mass:
374.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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