Name: (-)-2-[(1,4,5,6-tetrahydropyrimidin-2-yl)thio]methyl-3-carboethoxy-5-carbomethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine
SMILES:
CCOC(=O)C1=C(CSC2=NCCCN2)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C22H26N4O6S
Molecular weight
474.54
Exact mass
474.1573
XLogP
2.63
TPSA
132.16
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
124.73
Supplementary Information
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Involved in 1 reactions→