C=CCOC(=O)Nc1ccc(CN2CCC(=CC3=C(C(=O)O)N4C(=O)C(NC(=O)CSc5ccccc5)C4SC3)C2=O)cc1
SMILES: C=CCOC(=O)Nc1ccc(CN2CCC(=CC3=C(C(=O)O)N4C(=O)C(NC(=O)CSc5ccccc5)C4SC3)C2=O)cc1

Molecular Processing

Molecular formula
C31H30N4O7S2
Molecular weight
634.74
Exact mass
634.1556
XLogP
3.61
TPSA
145.35
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
44
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
166.58

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→