Name: 4-(3,4-Dichloro-phenyl)-1-isopropyl-5-pyridin-4-yl-pyrazolidin-3-one
SMILES:
CC(C)N1NC(=O)C(c2ccc(Cl)c(Cl)c2)C1c1ccncc1Molecular Processing
Molecular formula
C17H17Cl2N3O
Molecular weight
350.25
Exact mass
349.0749
XLogP
3.97
TPSA
45.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
91.3
Supplementary Information
Fetching details…
Involved in 5 reactions→