CC1=NC=CN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F
CAS: 252337-01-2
Name: benzyl N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamate
SMILES: CC1=NC=CN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

Molecular Processing

Molecular formula
C18H16FN3O2
Molecular weight
325.34
Exact mass
325.1227
XLogP
4.07
TPSA
56.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
88.51

Supplementary Information

InChIKey: LKNJDWMQVJVBOC-UHFFFAOYSA-N
Synonyme
5-Benzyloxycarbonylamino-2-(2-methyl-imidazol-1-yl)fluorobenzeneSCHEMBL5232610LKNJDWMQVJVBOC-UHFFFAOYSA-N252337-01-2DB-3171735-Benzyloxycarbonylamino-2-(2-methylimidazol-1-yl)fluorobenzene
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