CC(C)(C)OC(=O)N[C@@H]1CCN(c2cnnc(Cl)c2)C1
SMILES: CC(C)(C)OC(=O)N[C@@H]1CCN(c2cnnc(Cl)c2)C1

Molecular Processing

Molecular formula
C13H19ClN4O2
Molecular weight
298.77
Exact mass
298.1197
XLogP
2.23
TPSA
67.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
77.03

Supplementary Information

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