이름: 2-(8-bromo-4,5-dihydrothiazolo[4,5-d]benzo[b]oxepine-2-ylamino)-2-methylpropan-1-ol
SMILES:
CC(C)(CO)Nc1nc2c(s1)CCOc1cc(Br)ccc1-2Molecular Processing
Molecular formula
C15H17BrN2O2S
Molecular weight
369.28
Exact mass
368.0194
XLogP
3.69
TPSA
54.38
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
89.24
Supplementary Information
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