Name: ethyl (1,3,4,5-tetrahydro-4-methyl-5-oxo-2H-1,4-benzodiazepin-2-ylidene)acetate
SMILES:
CCOC(=O)C=C1CN(C)C(=O)c2ccccc2N1Molecular Processing
Molecular formula
C14H16N2O3
Molecular weight
260.29
Exact mass
260.1161
XLogP
1.63
TPSA
58.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
71.74
Supplementary Information
Details werden geladen…
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