CCCCN[C@@H]1CN(c2nc3cccc(C(=O)OCC)c3s2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1
SMILES: CCCCN[C@@H]1CN(c2nc3cccc(C(=O)OCC)c3s2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1

Molecular Processing

Molecular formula
C25H33ClN6O3S
Molecular weight
533.1
Exact mass
532.2023
XLogP
4.18
TPSA
112.24
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.52
Molar refractivity
143.34

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→