Name: (±)-trans-1,2,3,4,4a,8,9,14a-octahydropyrido[4',3':2,3]indolo[1,7-ab][1]benzazepine-3-hexanoic acid ethyl ester
SMILES:
CCOC(=O)CCCCCC1CCC2C(C=CC3=CCCc4c3n2c2ccncc42)C1Molecular Processing
Molecular formula
C27H34N2O2
Molecular weight
418.58
Exact mass
418.262
XLogP
6.41
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
124.76
Supplementary Information
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