Name: N′-[3-(2,4-Dichloro-phenyl)-2,6-dimethyl-pyrazolo[5,1-b]oxazol-7-yl]-N′-tert-butoxy carbonyl-hydrazinecarboxylic acid tert-butyl ester
SMILES:
Cc1nn2c(-c3ccc(Cl)cc3Cl)c(C)oc2c1N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C23H28Cl2N4O5
Molecular weight
511.41
Exact mass
510.1437
XLogP
6.7
TPSA
98.31
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
130.47
Supplementary Information
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Involved in 3 reactions→