Nom: (6R,7R)-18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine
SMILES:
CN1C2=C(C=C(C=C2)Cl)N3CCCC(C3C4=CC=CC=C41)NMolecular Processing
Molecular formula
C18H20ClN3
Molecular weight
313.83
Exact mass
313.1346
XLogP
4.09
TPSA
32.5
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
93.25
Supplementary Information
InChIKey: AMGNAAARUGMIMX-RDTXWAMCSA-N
Synonymes
AMGNAAARUGMIMX-RDTXWAMCSA-Ntrans-7-chloro-1,2,3,4,10,14b-hexahydro-10-methyldibenzo[b,f]pyrido[1,2-d][1,4]-diazepin-1-ylamine
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