Name: 8-hydroxy-7-methoxy-3-methyl-6-phenylthio-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILES:
COc1c(O)cc2c(c1Sc1ccccc1)CCN(C)CC2Molecular Processing
Molecular formula
C18H21NO2S
Molecular weight
315.44
Exact mass
315.1293
XLogP
3.58
TPSA
32.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
90.13
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→