Nom: phenyl N-cyano-N'-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl]carbamimidate
SMILES:
CCN1CC(CCC(C1=O)N=C(NC#N)OC2=CC=CC=C2)C3=C(C(=CC=C3)F)FMolecular Processing
Molecular formula
C22H22F2N4O2
Molecular weight
412.44
Exact mass
412.1711
XLogP
3.56
TPSA
77.72
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
107.63
Supplementary Information
InChIKey: FUWQVZDYYVFDCN-DNVCBOLYSA-N
Synonymes
SCHEMBL1197656SCHEMBL1197658FUWQVZDYYVFDCN-DNVCBOLYSA-Nphenyl N'-cyano-N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl]imidocarbamate
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