COC(=O)c1sc(C#CC(C)(C)C)cc1NN(C)c1ccccn1
SMILES: COC(=O)c1sc(C#CC(C)(C)C)cc1NN(C)c1ccccn1

Molecular Processing

Molecular formula
C18H21N3O2S
Molecular weight
343.45
Exact mass
343.1354
XLogP
3.79
TPSA
54.46
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
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
0.333
Molar refractivity
98.25

Supplementary Information

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Involved in 3 reactions→

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