CCCc1ccccc1OC1=CC(=O)N([C@@H](CC2CCCCC2)C(=O)Nc2ccn(CC(C)(C)O)n2)C1
SMILES: CCCc1ccccc1OC1=CC(=O)N([C@@H](CC2CCCCC2)C(=O)Nc2ccn(CC(C)(C)O)n2)C1

Molecular Processing

Molecular formula
C29H40N4O4
Molecular weight
508.66
Exact mass
508.305
XLogP
4.69
TPSA
96.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.552
Molar refractivity
143

Supplementary Information

Obteniendo detalles…

Participa en 1 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→