COC(=O)C(CC1CCCCC1)N2CC(=CC2=O)OC3=CC=CC=C3
Nom: methyl (2S)-3-cyclohexyl-2-(5-oxo-3-phenoxy-2H-pyrrol-1-yl)propanoate
SMILES: COC(=O)C(CC1CCCCC1)N2CC(=CC2=O)OC3=CC=CC=C3

Molecular Processing

Molecular formula
C20H25NO4
Molecular weight
343.42
Exact mass
343.1784
XLogP
3.3
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
93.86

Supplementary Information

InChIKey: GTTQXFXXRMEVDL-SFHVURJKSA-N
Synonymes
SCHEMBL1064978GTTQXFXXRMEVDL-SFHVURJKSA-N(S)-3-cyclohexyl-2-(2-oxo-4-phenoxy-2,5-dihydro-pyrrol-1-yl)-propionic acid methyl ester
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→