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116476-54-1 | Propanediamide, N1,N3-bis(2,5-dichlorophenyl)-
CAS No: 116476-54-1 Catalog No: AG000CLN MDL No:MFCD02726164
Product Description
Catalog Number:
AG000CLN
Chemical Name:
Propanediamide, N1,N3-bis(2,5-dichlorophenyl)-
CAS Number:
116476-54-1
Molecular Formula:
C15H10Cl4N2O2
Molecular Weight:
392.0641
MDL Number:
MFCD02726164
IUPAC Name:
N,N'-bis(2,5-dichlorophenyl)propanediamide
InChI:
InChI=1S/C15H10Cl4N2O2/c16-8-1-3-10(18)12(5-8)20-14(22)7-15(23)21-13-6-9(17)2-4-11(13)19/h1-6H,7H2,(H,20,22)(H,21,23)
InChI Key:
YSQOJZQREQNKQO-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(Cl)ccc1Cl)CC(=O)Nc1cc(Cl)ccc1Cl
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.947g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.057g/mol
Monoisotopic Mass:
389.95g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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