Nom: 4-[(2-{2-[5-(3,4-dichloro-benzenesulfonyl)-5,6-dihydro-phenanthridin-6-yl]-acetylamino}-acetylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(CNC(=O)CNC(=O)CC2c3ccccc3-c3ccccc3N2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1Molecular Processing
Molecular formula
C34H38Cl2N4O6S
Molecular weight
701.67
Exact mass
700.1889
XLogP
6.18
TPSA
125.12
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
47
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.382
Molar refractivity
181.91
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→