COC1=CC=CC=C1C(C2=CN=C(C=C2)NC(=O)C3(CC3)C4=CC5=C(C=C4)OCO5)O
Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[hydroxy-(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILES: COC1=CC=CC=C1C(C2=CN=C(C=C2)NC(=O)C3(CC3)C4=CC5=C(C=C4)OCO5)O

Molecular Processing

Molecular formula
C24H22N2O5
Molecular weight
418.45
Exact mass
418.1529
XLogP
3.57
TPSA
89.91
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
113.4

Supplementary Information

InChIKey: IWSHVDZWDDOSDS-UHFFFAOYSA-N
Synonyme
SCHEMBL1074831IWSHVDZWDDOSDS-UHFFFAOYSA-N1-(benzo[d][1,3]-dioxol-5-yl)-N-(5-(hydroxy(2-methoxyphenyl)methyl)pyridin-2-yl)cyclopropanecarboxamide1-(benzo[d][1,3]dioxol-5-yl)-N-(5-(hydroxy(2-methoxyphenyl)methyl)pyridin-2-yl)cyclopropanecarboxamide1-benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid {5-[hydroxy-(2-methoxy-phenyl)-methyl]-pyridin-2-yl}-amide
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