Name: 1-[2-(N-isopropyl-N-heptylamino)propyl]-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2-one
SMILES:
CCCCCCCN(C(C)C)C(C)CC1=C2c3ccc(OC)cc3CCC2CCNC1=OMolecular Processing
Molecular formula
C28H44N2O2
Molecular weight
440.67
Exact mass
440.3403
XLogP
5.99
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.679
Molar refractivity
134.03
Supplementary Information
Details werden geladen…
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