이름: 2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanoic acid
SMILES:
Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)FMolecular Processing
Molecular formula
C25H26ClF3N4O4
Molecular weight
538.95
Exact mass
538.1595
XLogP
4.61
TPSA
115.97
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
130.92
Supplementary Information
InChIKey: DXBACCXYKWMGFW-UHFFFAOYSA-N
동의어
2-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-4-oxo-4-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-butanoic acidSCHEMBL3307004
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