Name: 7-[4-(4-Methyl-piperazin-1-yl)-piperidin-1-yl]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamine
SMILES:
CN1CCN(C2CCN(C3CCc4ccc(N)cc4CC3)CC2)CC1Molecular Processing
Molecular formula
C21H34N4
Molecular weight
342.53
Exact mass
342.2783
XLogP
2.23
TPSA
35.74
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
104.95
Supplementary Information
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Involved in 9 reactions→