Название: compound
SMILES:
CSC1C(=O)Nc2ccc(CN3CCOC3=O)cc21Molecular Processing
Molecular formula
C13H14N2O3S
Molecular weight
278.33
Exact mass
278.0725
XLogP
1.99
TPSA
58.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
73.09
Supplementary Information
Загрузка подробностей…
Участвует в 7 реакциях→