C1=CC=C2C(=C1)C(N(C3=CC=CC=C23)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)CC(=O)NCC(=O)O
CAS: 942613-56-1
Nom: 2-[[2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetyl]amino]acetic acid
SMILES: C1=CC=C2C(=C1)C(N(C3=CC=CC=C23)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)CC(=O)NCC(=O)O

Molecular Processing

Molecular formula
C23H18Cl2N2O5S
Molecular weight
505.38
Exact mass
504.0313
XLogP
4.5
TPSA
103.78
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
126.01

Supplementary Information

InChIKey: GJARKLXHAZGZCL-UHFFFAOYSA-N
Synonymes
SCHEMBL2516990GJARKLXHAZGZCL-UHFFFAOYSA-NDTXSID001129455N-[2-[5-[(3,4-Dichlorophenyl)sulfonyl]-5,6-dihydro-6-phenanthridinyl]acetyl]glycineN-{[5-(3,4-Dichlorobenzene-1-sulfonyl)-5,6-dihydrophenanthridin-6-yl]acetyl}glycine{2-[5-(3,4-dichloro-benzenesulfonyl)-5,6-dihydro-phenanthridin-6-yl]-acetylamino}-acetic acid942613-56-1
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→