CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)CCOC3=CC4=C(C=C3)NC=C4
CAS: 445490-80-2
Nombre: tert-butyl 7-[2-(1H-indol-5-yloxy)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)CCOC3=CC4=C(C=C3)NC=C4

Molecular Processing

Molecular formula
C23H27N3O3
Molecular weight
393.49
Exact mass
393.2052
XLogP
4.87
TPSA
67.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
113.64

Supplementary Information

InChIKey: ORKFFLUQRABVFT-UHFFFAOYSA-N
Sinónimos
SCHEMBL860740ORKFFLUQRABVFT-UHFFFAOYSA-NDB-112377445490-80-27-[2-(1H-indol-5-yloxy)-ethyl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester
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