Name: N-(2-nitrobenzoyl)-N'-[3-chloro-4-(5-chloro-2-pyrimidinyloxy)phenyl]urea
SMILES:
O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1Molecular Processing
Molecular formula
C18H11Cl2N5O5
Molecular weight
448.22
Exact mass
447.0137
XLogP
4.45
TPSA
136.35
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0
Molar refractivity
108.15
Supplementary Information
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