名称: 1,4-dihydro-5-[(isopropylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid 2-acetoxyethyl ester
SMILES:
CC(=O)OCCOC(=O)C1=C(C)NC(C)=C(C(=O)CS(=O)(=O)NC(C)C)C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C23H29N3O9S
Molecular weight
523.56
Exact mass
523.1625
XLogP
1.83
TPSA
171.01
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
36
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
129.03
Supplementary Information
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