Nombre: methyl (2S)-3-cyclohexyl-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]propanoate
SMILES:
COC(=O)C(CC1CCCCC1)N2CC(=CC2=O)OC3=C(C(=CC=C3)Cl)ClMolecular Processing
Molecular formula
C20H23Cl2NO4
Molecular weight
412.31
Exact mass
411.1004
XLogP
4.61
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
103.88
Supplementary Information
InChIKey: STPHVTOJVBKRRQ-INIZCTEOSA-N
Sinónimos
SCHEMBL1066336STPHVTOJVBKRRQ-INIZCTEOSA-N(S)-3-cyclohexyl-2-[4-(2,3-dichloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid methyl ester
Participa en 2 reacciones→