Name: tert-butyl [3-methyl-3-(5-methyl-2-nitro-phenylamino)-butyl]-carbamate
SMILES:
Cc1ccc([N+](=O)[O-])c(NC(C)(C)CCNC(=O)OC(C)(C)C)c1Molecular Processing
Molecular formula
C17H27N3O4
Molecular weight
337.42
Exact mass
337.2002
XLogP
4.01
TPSA
93.5
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
94.39
Supplementary Information
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