CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)NOCC4CC4)N(C=N3)CCCC(CO)O)F
Name: 6-(4-bromo-2-methylanilino)-N-(cyclopropylmethoxy)-3-(4,5-dihydroxypentyl)-7-fluorobenzimidazole-5-carboxamide
SMILES: CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)NOCC4CC4)N(C=N3)CCCC(CO)O)F

Molecular Processing

Molecular formula
C24H28BrFN4O4
Molecular weight
535.41
Exact mass
534.1278
XLogP
4.19
TPSA
108.64
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
130.32

Supplementary Information

InChIKey: VXDFSYRZBWQGBY-UHFFFAOYSA-N
Synonyme
SCHEMBL1040495VXDFSYRZBWQGBY-UHFFFAOYSA-N6-(4-Bromo-2-methyl-phenylamino)-3-(4,5-dihydroxy -pentyl)-7-fluoro-3H-benzoimidazole-5-carboxylic acid cyclopropylmethoxy-amide6-(4-Bromo-2-methyl-phenylamino)-3-(4,5-dihydroxy-pentyl)-7-fluoro-3H-benzoimidazole-5-carboxylic acid cyclopropylmethoxy-amide
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