CCOC(=O)NC1=NC2=C(C=CC(=C2)Cl)N=C1OC
Name: ethyl N-(7-chloro-3-methoxyquinoxalin-2-yl)carbamate
SMILES: CCOC(=O)NC1=NC2=C(C=CC(=C2)Cl)N=C1OC

Molecular Processing

Molecular formula
C12H12ClN3O3
Molecular weight
281.7
Exact mass
281.0567
XLogP
2.86
TPSA
73.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
71.74

Supplementary Information

InChIKey: MPUTUGADEHXZDQ-UHFFFAOYSA-N
Synonyme
SCHEMBL1138406MPUTUGADEHXZDQ-UHFFFAOYSA-NEthyl N-(6-chloro-2-methoxyquinoxalin-3-yl)carbamate
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