Название: 5-n-butyl-2-[2-chloro-5-(methoxycarbonyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
SMILES:
CCCCc1nn(-c2cc(C(=O)OC)ccc2Cl)c(=O)[nH]1Molecular Processing
Molecular formula
C14H16ClN3O3
Molecular weight
309.75
Exact mass
309.088
XLogP
2.34
TPSA
76.98
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
79.15
Supplementary Information
Загрузка подробностей…
Участвует в 5 реакциях→