CC1(CN(C(=O)C2=C(O1)N=CC=C2)C)CCCl.Cl
Nombre: 2-(2-chloroethyl)-2,4-dimethyl-3H-pyrido[3,2-f][1,4]oxazepin-5-one;hydrochloride
SMILES: CC1(CN(C(=O)C2=C(O1)N=CC=C2)C)CCCl.Cl

Molecular Processing

Molecular formula
C12H16Cl2N2O2
Molecular weight
291.18
Exact mass
290.0589
XLogP
2.36
TPSA
42.43
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
72.82

Supplementary Information

InChIKey: FNMGPUODFAXIBX-UHFFFAOYSA-N
Sinónimos
SCHEMBL10561879FNMGPUODFAXIBX-UHFFFAOYSA-N2-(2-Chloroethyl)-2,3-dihydro-2,4-dimethylpyrido[3,2-f]-1,4-oxazepin-5(4H)-one hydrochloride2-(2-chloroethyl)-2,3-dihydro-2,4-dimethypyrido[3,2-f]-1,4-oxazepin-5(4H)-one hydrochloride
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