Name: N-{[6-bromo-4-(1,1-difluoro-2-hydroxyethyl)-4H-spiro[chromene-3,1′-cyclopropan]-4-yl]carbamothioyl}benzamide
SMILES:
O=C(NC(=S)NC1(C(F)(F)CO)c2cc(Br)ccc2OCC12CC2)c1ccccc1Molecular Processing
Molecular formula
C21H19BrF2N2O3S
Molecular weight
497.36
Exact mass
496.0268
XLogP
3.75
TPSA
70.59
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
114.66
Supplementary Information
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Involved in 6 reactions→