COC(=O)C(Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1)NC(=O)C(N)Cc1c[nH]cn1.Cl.Cl
SMILES: COC(=O)C(Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1)NC(=O)C(N)Cc1c[nH]cn1.Cl.Cl

Molecular Processing

Molecular formula
C26H29Cl2N5O6S
Molecular weight
610.52
Exact mass
609.1216
XLogP
2.71
TPSA
165.5
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
14
Covalent units
3
Fraction Csp3
0.269
Molar refractivity
153.99

Supplementary Information

Récupération des détails…

Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→