COc1cc(-c2csc3c(NC(=O)N4CCN(CCO)CC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
SMILES: COc1cc(-c2csc3c(NC(=O)N4CCN(CCO)CC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

Molecular Processing

Molecular formula
C31H33N7O4S
Molecular weight
599.72
Exact mass
599.2315
XLogP
4.44
TPSA
137.98
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
43
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
171.01

Supplementary Information

Récupération des détails…

Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→