이름: methyl 1-[[6-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]indol-5-yl]oxypyrimidin-4-yl]methyl]piperidine-4-carboxylate

SMILES: COC(=O)C1CCN(CC1)CC2=CC(=NC=N2)OC3=CC4=C(C=C3)N(C=C4)C(=O)NC5=CC(=C(C=C5)F)C(F)(F)F

Molecular Processing

Molecular formula

C28H25F4N5O4

Molecular weight

571.53

Exact mass

571.1843

XLogP

5.85

TPSA

98.58

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.286

Molar refractivity

139.88

Supplementary Information

InChIKey: ADMYIENLGCECPB-UHFFFAOYSA-N

동의어

methyl 1-((6-(1-(4-fluoro-3-(trifluoromethyl)phenylcarbamoyl)-1H-indol-5-yloxy)pyrimidin-4-yl)methyl)piperidine-4-carboxylateSCHEMBL2502260