Nom: cis-4-[[(2-Carbamoyl-cycloheptyl)-(4-chlorobenzenesulfonyl)-amino]-methyl]-benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(CN([C@@H]2CCCCC[C@@H]2C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1Molecular Processing
Molecular formula
C23H27ClN2O5S
Molecular weight
479
Exact mass
478.1329
XLogP
3.75
TPSA
106.77
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
121.52
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→