Name: trans-8-chloro-1-(4-isopropoxy-cyclohexyl)-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulene hydrochloride
SMILES:
CC(C)O[C@H]1CC[C@H](c2nnc3n2-c2ccc(Cl)cc2CNC3)CC1.ClMolecular Processing
Molecular formula
C19H26Cl2N4O
Molecular weight
397.35
Exact mass
396.1484
XLogP
4.4
TPSA
51.97
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.579
Molar refractivity
105.38
Supplementary Information
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