Name: (7-bromo-5-methyl-2,3-dihydrobenzo[b]oxepin-4-yl)methyl carbamimidothioate hydrochloride
SMILES:
CC1=C(CSC(=N)N)CCOc2ccc(Br)cc21.ClMolecular Processing
Molecular formula
C13H16BrClN2OS
Molecular weight
363.71
Exact mass
361.9855
XLogP
4.05
TPSA
59.1
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
88.47
Supplementary Information
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