이름: tert-butyl 2-[(2-chloro-5,6-dimethyl-3-nitropyridin-4-yl)amino]ethylcarbamate
SMILES:
Cc1nc(Cl)c([N+](=O)[O-])c(NCCNC(=O)OC(C)(C)C)c1CMolecular Processing
Molecular formula
C14H21ClN4O4
Molecular weight
344.8
Exact mass
344.1251
XLogP
3.2
TPSA
106.39
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
23
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
0.571
Molar refractivity
88.1
Supplementary Information
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