Name: 4-(3-{2-[(tert-butoxycarbonyl)amino]ethyl}ureido)-1-methyl-5-triphenylmethylaminopyrazole
SMILES:
Cn1ncc(NC(=O)NCCNC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C31H36N6O3
Molecular weight
540.67
Exact mass
540.2849
XLogP
5.47
TPSA
109.31
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
157.3
Supplementary Information
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Involved in 6 reactions→