COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccccc1N
SMILES: COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccccc1N

Molecular Processing

Molecular formula
C17H21N3O3S
Molecular weight
347.44
Exact mass
347.1304
XLogP
4.06
TPSA
93.45
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
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
0.294
Molar refractivity
97.85

Supplementary Information

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