COC1=CC=CC(=C1)NC(=O)CC(=O)C2=NC=CS2
名称: N-(3-methoxyphenyl)-3-oxo-3-(1,3-thiazol-2-yl)propanamide
SMILES: COC1=CC=CC(=C1)NC(=O)CC(=O)C2=NC=CS2

Molecular Processing

Molecular formula
C13H12N2O3S
Molecular weight
276.32
Exact mass
276.0569
XLogP
2.36
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
72.69

Supplementary Information

InChIKey: BQJGFAWSKUPRIP-UHFFFAOYSA-N
同義語
SCHEMBL2796191BQJGFAWSKUPRIP-UHFFFAOYSA-Nn-(3-methoxyphenyl)-3-oxo-3-(1,3-thiazol-2-yl)propaneamide
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