CC1=C(C=CC=C1C(F)(F)F)CN2C(=NC3=C2C=C(C=C3Br)N4CCOCC4)C
الاسم: 4-[7-bromo-2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine
SMILES: CC1=C(C=CC=C1C(F)(F)F)CN2C(=NC3=C2C=C(C=C3Br)N4CCOCC4)C

Molecular Processing

Molecular formula
C21H21BrF3N3O
Molecular weight
468.32
Exact mass
467.082
XLogP
5.32
TPSA
30.29
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
110.49

Supplementary Information

InChIKey: VKWLJVRCNFVJQD-UHFFFAOYSA-N
مرادفات
4-(7-bromo-2-methyl-3-(2-methyl-3-(trifluoromethyl)benzyl)-3H-benzo[d]imidazol-5-yl)morpholine4-bromo-2-methyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-(4-morpholinyl)-1H-benzimidazole4-bromo-2-methyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(4-morpholinyl)-1H-benzimidazoleSCHEMBL1281461CHEMBL5824614BDBM444319US10660898, Example 63
عرض المصدر →
مشارك في 35 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→