C1=CC=C(C=C1)C2=NC=C(C(=S)N2)C(=O)NCCC3=CC=CC=N3
Nombre: 2-phenyl-N-(2-pyridin-2-ylethyl)-6-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILES: C1=CC=C(C=C1)C2=NC=C(C(=S)N2)C(=O)NCCC3=CC=CC=N3

Molecular Processing

Molecular formula
C18H16N4OS
Molecular weight
336.42
Exact mass
336.1045
XLogP
3.17
TPSA
70.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
95.13

Supplementary Information

InChIKey: KILPZXULAZCMJR-UHFFFAOYSA-N
Sinónimos
KILPZXULAZCMJR-UHFFFAOYSA-N4-mercapto-2-phenyl-pyrimidine-5-carboxylic acid (2-pyridin-2-yl-ethyl)-amide
Ver fuente →
Participa en 6 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→