CCOC(=O)C1=CC=C(C=C1)OC2=CC(=CC(=C2)C(=O)NC3=NN(C=C3)C(=O)OC(C)(C)C)OC(C)COC
Name: tert-butyl 3-[[3-(4-ethoxycarbonylphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylate
SMILES: CCOC(=O)C1=CC=C(C=C1)OC2=CC(=CC(=C2)C(=O)NC3=NN(C=C3)C(=O)OC(C)(C)C)OC(C)COC

Molecular Processing

Molecular formula
C28H33N3O8
Molecular weight
539.59
Exact mass
539.2268
XLogP
5.3
TPSA
127.21
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
39
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
142.69

Supplementary Information

InChIKey: MFNVKOSKARBDMO-SFHVURJKSA-N
Synonyme
SCHEMBL1146779MFNVKOSKARBDMO-SFHVURJKSA-Ntert-butyl 3-({3-[4-(ethoxycarbonyl)phenoxy]-5-[(1S)-2-methoxy-1-methyl ethoxy]benzoyl}amino)-1H-pyrazole-1-carboxylatetert-butyl 3-({3-[4-(ethoxycarbonyl)phenoxy]-5-[(1S)-2-methoxy-1-methylethoxy]benzoyl}amino)-1H-pyrazole-1-carboxylate
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