CC(C)(CNC1=C2C=CC(=CC2=NC=C1[N+](=O)[O-])C3=CC=CC=C3)NC=O.C1CCCCC1
الاسم: cyclohexane;N-[2-methyl-1-[(3-nitro-7-phenylquinolin-4-yl)amino]propan-2-yl]formamide
SMILES: CC(C)(CNC1=C2C=CC(=CC2=NC=C1[N+](=O)[O-])C3=CC=CC=C3)NC=O.C1CCCCC1

Molecular Processing

Molecular formula
C26H32N4O3
Molecular weight
448.57
Exact mass
448.2474
XLogP
6.09
TPSA
97.16
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.385
Molar refractivity
133.3

Supplementary Information

InChIKey: FDROFHIKJQPCPS-UHFFFAOYSA-N
مرادفات
SCHEMBL3862266FDROFHIKJQPCPS-UHFFFAOYSA-Ncyclohexane n-[1,1-dimethyl-2-(3-nitro-7-phenylquinolin-4-ylamino)ethyl]carboxamide
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