CCOC(=O)C1=C(C=C(C(=C1F)F)N2CCC(C2)NC(=O)OC(C)(C)C)F
Nombre: ethyl 2,3,6-trifluoro-4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate
SMILES: CCOC(=O)C1=C(C=C(C(=C1F)F)N2CCC(C2)NC(=O)OC(C)(C)C)F

Molecular Processing

Molecular formula
C18H23F3N2O4
Molecular weight
388.39
Exact mass
388.161
XLogP
3.38
TPSA
67.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
92.26

Supplementary Information

InChIKey: BWNOFHKEKFPTBV-JTQLQIEISA-N
Sinónimos
SCHEMBL4500455BWNOFHKEKFPTBV-JTQLQIEISA-N4-[(S)-3-tert-Butoxycarbonylaminopyrrolidin-1-yl]-2,3,6-trifluorobenzoic acid ethyl ester4-[(S)-3-tert-Butoxycarbonylaminopyrrolodin-1-yl]-2,3,6-trifluorobenzoic acid ethyl ester4-[(S)-3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-2,3,6-trifluorobenzoic acid ethyl ester
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