CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CS)C
الاسم: diethyl 2-methyl-4-(3-nitrophenyl)-6-(sulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CS)C

Molecular Processing

Molecular formula
C19H22N2O6S
Molecular weight
406.46
Exact mass
406.1199
XLogP
2.87
TPSA
107.77
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
105.82

Supplementary Information

InChIKey: MEVHWDXEYXJOCX-UHFFFAOYSA-N
مرادفات
SCHEMBL7286872MEVHWDXEYXJOCX-UHFFFAOYSA-N2-mercaptomethyl-3,5-dicarboethoxy-4-(m-nitrophenyl) -6-methyl-1,4-dihydropyridine2-mercaptomethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1, 4-dihydropyridine2-mercaptomethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine2-mercaptomethyl-3,5-dicarboetoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-2-mercaptomethyl-1,4-dihydropyridine3,5-dicarboethoxy-6-methyl-2-(mercaptome-thyl) -4-(m-nitrophenyl)-1,4-dihydropyridine3,5-dicarboethoxy-6-methyl-2-mercaptomethyl-4-(m-nitrophenyl)-1,4-dihydropyridine
عرض المصدر →
مشارك في 20 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→