COC1=C2C(=C3C(=O)N(CCCCN3C1=O)CCOCC4=CC=CC=C4)CCN(C2=O)CC5=CC(=C(C=C5)F)Cl
Nombre: 5-[(3-chloro-4-fluorophenyl)methyl]-8-methoxy-15-(2-phenylmethoxyethyl)-5,10,15-triazatricyclo[8.6.0.02,7]hexadeca-1,7-diene-6,9,16-trione
SMILES: COC1=C2C(=C3C(=O)N(CCCCN3C1=O)CCOCC4=CC=CC=C4)CCN(C2=O)CC5=CC(=C(C=C5)F)Cl

Molecular Processing

Molecular formula
C30H31ClFN3O5
Molecular weight
568.05
Exact mass
567.1936
XLogP
4.3
TPSA
81.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
148.34

Supplementary Information

InChIKey: UWDXGBNOWOTSJX-UHFFFAOYSA-N
Sinónimos
SCHEMBL1337827UWDXGBNOWOTSJX-UHFFFAOYSA-N11-(3-chloro-4-fluorobenzyl)-9-methoxy-2-[2-(benzyl-oxy)ethyl]-3,4,5,6,12,13-hexahydro-2h[1,4]diazocino[2,1-a]-2,6-naphthyridine-1,8,10(11h)-trione11-(3-Chloro-4-fluorobenzyl)-9-methoxy-2-[2-(benzyloxy)ethyl]-3,4,5,6,12,13-hexahydro-2H [1,4]diazocino[2,1-a]-2,6-naphthyridine-1,8,10(11H)-trione11-(3-chloro-4-fluorobenzyl)-9-methoxy-2-[2-(benzyloxy)ethyl]-3,4,5,6,12,13-hexahydro-2h[1,4]diazocino[2,1-a]-2,6-naphthyridine-1,8,10(11h)-trione11-(3-chloro-4-fluorobenzyl)-9-methoxy-2-[2-(benzyloxy)ethyl]-3,4,5,6,12,13-hexahydro-2h[1,4]diazocino[2,1-a]-2,6-naphthyridine-1,8,10(1h)-trione
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