C#CCOC1=C(C=C(C(=C1)N2C(=O)NC(=N2)CCC3CO3)Cl)Cl
이름: 2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-[2-(oxiran-2-yl)ethyl]-4H-1,2,4-triazol-3-one
SMILES: C#CCOC1=C(C=C(C(=C1)N2C(=O)NC(=N2)CCC3CO3)Cl)Cl

Molecular Processing

Molecular formula
C15H13Cl2N3O3
Molecular weight
354.19
Exact mass
353.0334
XLogP
2.21
TPSA
72.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
86.59

Supplementary Information

InChIKey: LKZLHGXVGDSFMX-UHFFFAOYSA-N
동의어
SCHEMBL8567035LKZLHGXVGDSFMX-UHFFFAOYSA-N2-[2,4-dichloro-5-(2-propynyloxy)-phenyl]-2,4-dihydro-5-(3,4-epoxybutyl)-3H-1,2,4-triazol-3-one2-[2,4-dichloro-5-(2-propynyloxy)phenyl]-2.4-dihydro-5-(3.4epoxybutyl)-3H- 1,2,4-triazol-3-one
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