Nombre: 1-thiomorpholino-3-piperazino-5-chloro-isoquinoline
SMILES:
Clc1cccc2c(N3CCSCC3)nc(N3CCNCC3)cc12Molecular Processing
Molecular formula
C17H21ClN4S
Molecular weight
348.9
Exact mass
348.1175
XLogP
2.85
TPSA
31.4
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
101.37
Supplementary Information
Obteniendo detalles…
Participa en 4 reacciones→