C1=COC(=C1)C2=CC(=NN2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O
Nombre: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(furan-2-yl)pyrazole-3-carboxylic acid
SMILES: C1=COC(=C1)C2=CC(=NN2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O

Molecular Processing

Molecular formula
C16H10ClN3O4S
Molecular weight
375.79
Exact mass
375.0081
XLogP
4.26
TPSA
94.29
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
90.82

Supplementary Information

InChIKey: RRACFGKIZHEVEL-UHFFFAOYSA-N
Sinónimos
SCHEMBL1456629RRACFGKIZHEVEL-UHFFFAOYSA-N1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-furan-2-yl-1H -pyrazole-3-carboxylic acid1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-furan-2-yl-1H-pyrazole-3-carboxylic acid
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