CCOC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Cl)cc2)c1
CAS: 725685-95-0
Nombre: ethyl 3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoate
SMILES: CCOC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Cl)cc2)c1

Molecular Processing

Molecular formula
C23H25ClN4O3
Molecular weight
440.93
Exact mass
440.1615
XLogP
5.64
TPSA
85.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
122.31

Supplementary Information

InChIKey: PLWTXWBKKPXFNQ-UHFFFAOYSA-N
Sinónimos
SCHEMBL2083858PLWTXWBKKPXFNQ-UHFFFAOYSA-Nethyl 3-{3-t-butyl-5-[3-(4-chlorophenyl)ureido]-1h-pyrazol-1-yl}benzoateethyl 3-{3-tert-butyl-5-[3-(4-chlorophenyl)ureido]-1h-pyrazol-yl}benzoateEthyl 3-(3-(tert-butyl)-5-(3-(4-chlorophenyl)ureido)-1H-pyrazol-1-yl)benzoateethyl 3-{3-tert-butyl-5-[3-(4-chlorophenyl)ureido]-1h-pyrazol-1-yl}benzoate725685-95-0
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