Name: 2-cyano-N-(2,4-dichloro-5-methoxyphenyl)-3-(thien-3-ylamino)prop-2-enamide
SMILES:
COc1cc(NC(=O)C(C#N)=CNc2ccsc2)c(Cl)cc1ClMolecular Processing
Molecular formula
C15H11Cl2N3O2S
Molecular weight
368.25
Exact mass
366.9949
XLogP
4.52
TPSA
74.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
93.28
Supplementary Information
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