COC(=O)C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)NCC3=CC=CC=C3
名称: methyl 1-[3-(benzylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxylate
SMILES: COC(=O)C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)NCC3=CC=CC=C3

Molecular Processing

Molecular formula
C20H21N3O4
Molecular weight
367.41
Exact mass
367.1532
XLogP
2.53
TPSA
87.74
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
101.22

Supplementary Information

InChIKey: MWMZBMHKHBQKSJ-UHFFFAOYSA-N
同義語
SCHEMBL6339783MWMZBMHKHBQKSJ-UHFFFAOYSA-NMethyl 5-oxo-1-(3-{(benzylamino)carbonyl amino}phenyl)pyrrolidine-3-carboxylatemethyl 5-oxo-1-(3-{(benzylamino)carbonylamino}phenyl)pyrrolidine-3-carboxylate
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