CC(C)(C)c1cccc(NC(=O)c2ccc(C3CCN(C(=O)CC4SC(=O)NC4=O)CC3)cc2)c1
SMILES: CC(C)(C)c1cccc(NC(=O)c2ccc(C3CCN(C(=O)CC4SC(=O)NC4=O)CC3)cc2)c1

Molecular Processing

Molecular formula
C27H31N3O4S
Molecular weight
493.63
Exact mass
493.2035
XLogP
4.68
TPSA
95.58
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
137.63

Supplementary Information

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