CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)O
CAS: 314000-19-6
الاسم: 4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
SMILES: CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)O

Molecular Processing

Molecular formula
C12H11ClN2O3
Molecular weight
266.68
Exact mass
266.0458
XLogP
2.05
TPSA
78.43
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
66.2

Supplementary Information

InChIKey: XXGPRVFYTRGXSG-UHFFFAOYSA-N
مرادفات
314000-19-64-(3-Chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid4-(3-CHLOROPHENYL)-1,2,3,4-TETRAHYDRO-6-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID4-(3-CHLOROPHENYL)-6-METHYL-2-OXO-3,4-DIHYDRO-1H-PYRIMIDINE-5-CARBOXYLIC ACIDSCHEMBL6348122DTXSID80626580XXGPRVFYTRGXSG-UHFFFAOYSA-NSB599294-(3-Chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylicacid
عرض المصدر →
مشارك في 14 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→