CC(NC(=O)C(CSCC1CCCCC1)NC(=O)C1CSCN1C(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1
SMILES: CC(NC(=O)C(CSCC1CCCCC1)NC(=O)C1CSCN1C(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C27H41N5O5S2
Molecular weight
579.79
Exact mass
579.2549
XLogP
4.45
TPSA
133.68
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
39
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
156.72

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→