Name: N-(9-bromo-1,2-dihydro-10-nitro-1-oxobenzo[f]quinazolin-3-yl)pivalamide
SMILES:
CC(C)(C)C(=O)Nc1nc2ccc3ccc(Br)c([N+](=O)[O-])c3c2c(=O)[nH]1Molecular Processing
Molecular formula
C17H15BrN4O4
Molecular weight
419.24
Exact mass
418.0277
XLogP
3.73
TPSA
117.99
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
102.31
Supplementary Information
Details werden geladen…
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