COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(C#Cc3ccc(-c4cnc(C5N(C(=O)C(NC(=O)OC)C(C)C)CSC5(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C
SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(C#Cc3ccc(-c4cnc(C5N(C(=O)C(NC(=O)OC)C(C)C)CSC5(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C

Molecular Processing

Molecular formula
C43H52N8O6S
Molecular weight
809.01
Exact mass
808.3731
XLogP
6.64
TPSA
174.64
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
58
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.442
Molar refractivity
222.17

Supplementary Information

Récupération des détails…

Impliqué dans 7 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→