CCCCC12CCC(=O)C(=C1C3=C(C2)C=C(C=C3)OC)C4=CC=C(C=C4)OCCN5CCCCC5
Name: 9a-butyl-7-methoxy-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,9-dihydro-1H-fluoren-3-one
SMILES: CCCCC12CCC(=O)C(=C1C3=C(C2)C=C(C=C3)OC)C4=CC=C(C=C4)OCCN5CCCCC5

Molecular Processing

Molecular formula
C31H39NO3
Molecular weight
473.66
Exact mass
473.293
XLogP
6.57
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
35
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.516
Molar refractivity
141.94

Supplementary Information

InChIKey: NCCJAGDNQNISJG-UHFFFAOYSA-N
Synonyme
SCHEMBL2417053NCCJAGDNQNISJG-UHFFFAOYSA-N9a-butyl-7-methoxy-4-{4-[2-(1-piperidinyl)-ethoxy]phenyl}-1,2,9,9a-tetrahydro-3H-fluoren-3-one9a-butyl-7-methoxy-4-{4-[2-(1-piperidinyl)ethoxy]phenyl}-1,2,9,9a-tetrahydro-3H-fluoren-3-one
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