الاسم: 2-(6-chloro-5-propan-2-ylpyridazin-3-yl)-2-[2,6-dibromo-4-(oxan-2-yloxymethyl)phenyl]acetonitrile
SMILES:
CC(C)C1=CC(=NN=C1Cl)C(C#N)C2=C(C=C(C=C2Br)COC3CCCCO3)BrMolecular Processing
Molecular formula
C21H22Br2ClN3O2
Molecular weight
543.69
Exact mass
540.9767
XLogP
6.48
TPSA
68.03
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
118.81
Supplementary Information
InChIKey: WFQZETFYWDCNQL-UHFFFAOYSA-N
مرادفات
SCHEMBL2928401WFQZETFYWDCNQL-UHFFFAOYSA-N(6-chloro-5-isopropyl-pyridazin-3-yl)-[2,6-dibromo-4-(tetrahydro-pyran-2-yloxymethyl)-phenyl]-acetonitrile
مشارك في 7 تفاعل→