Название: Methyl (2R)-2-[(2-chloro-5-nitro-pyrimidin-4-yl)-isopropyl-amino]butanoate
SMILES:
CC[C@H](C(=O)OC)N(c1nc(Cl)ncc1[N+](=O)[O-])C(C)CMolecular Processing
Molecular formula
C12H17ClN4O4
Molecular weight
316.75
Exact mass
316.0938
XLogP
2.2
TPSA
98.46
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
77.41
Supplementary Information
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