이름: 4-[2-(morpholine-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]benzonitrile
SMILES:
CC(C)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=C3)C(=O)N4CCOCC4)C5=CC=C(C=C5)C#NMolecular Processing
Molecular formula
C28H32N4O3
Molecular weight
472.59
Exact mass
472.2474
XLogP
4.23
TPSA
70.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
135.07
Supplementary Information
InChIKey: QPUFIQPKMMMHAM-UHFFFAOYSA-N
동의어
SCHEMBL1397931QPUFIQPKMMMHAM-UHFFFAOYSA-N4-[5-(1-Isopropyl-piperidin-4-yloxy)-2-(morpholine-4-carbonyl)-indol-1-yl]-benzonitrile
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