Name: 4-(3-bromo-phenyl)-7-methyl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
SMILES:
Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(Br)c1)=N2Molecular Processing
Molecular formula
C17H12BrF3N2O
Molecular weight
397.19
Exact mass
396.0085
XLogP
5.24
TPSA
41.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
89.77
Supplementary Information
Details werden geladen…
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