Name: 5-amino-4-(3-{2-[(tert-butoxycarbonyl)amino]ethyl}ureido)-1-methylpyrazole
SMILES:
Cn1ncc(NC(=O)NCCNC(=O)OC(C)(C)C)c1NMolecular Processing
Molecular formula
C12H22N6O3
Molecular weight
298.35
Exact mass
298.1753
XLogP
0.65
TPSA
123.3
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
78.88
Supplementary Information
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Involved in 3 reactions→