الاسم: N-[4-amino-2,5-bis(2-cyanoethylsulfanyl)phenyl]-4-nitrobenzamide
SMILES:
C1=CC(=CC=C1C(=O)NC2=C(C=C(C(=C2)SCCC#N)N)SCCC#N)[N+](=O)[O-]Molecular Processing
Molecular formula
C19H17N5O3S2
Molecular weight
427.51
Exact mass
427.0773
XLogP
4.44
TPSA
145.84
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
113.81
Supplementary Information
InChIKey: ZNFJCQKZBJOVPH-UHFFFAOYSA-N
مرادفات
SCHEMBL3179959ZNFJCQKZBJOVPH-UHFFFAOYSA-N2,5-bis[(2-cyanoethyl)sulfanyl]-N-(4-nitrobenzoyl)-1,4-phenylenediamine
مشارك في 4 تفاعل→