Nom: N,2-dimethyl-6-cyano-2-ethyl-3-hydroxy-2H-1-benzopyran-4-carbothioamide
SMILES:
CCC1(C)Oc2ccc(C#N)cc2C(C(=S)NC)=C1OMolecular Processing
Molecular formula
C15H16N2O2S
Molecular weight
288.37
Exact mass
288.0932
XLogP
2.94
TPSA
65.28
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
81.69
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→