Название: methyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate

SMILES: CC(C)C1=CC(=C(C=C1)OC)C2=C(C=C(C=C2)C(F)(F)F)CN(CC3=CC(=CC(=C3)N)C(F)(F)F)C(=O)OC

Molecular Processing

Molecular formula

C28H28F6N2O3

Molecular weight

554.53

Exact mass

554.2004

XLogP

7.87

TPSA

64.79

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

0.321

Molar refractivity

135.03

Supplementary Information

InChIKey: GEVMLVWUWXINQG-UHFFFAOYSA-N

Синонимы

methyl[3-amino-5-(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamateSCHEMBL3553312