Name: tert-butyl N-allyl-N-(2-isothiazol-5-yl-2-oxo-ethyl)carbamate
SMILES:
C=CCN(CC(=O)c1ccns1)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C13H18N2O3S
Molecular weight
282.37
Exact mass
282.1038
XLogP
2.75
TPSA
59.5
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
74.45
Supplementary Information
Details werden geladen…
An 9 Reaktionen beteiligt→