Nombre: 3-amino-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione

SMILES: CN(C)CCN1C(=O)C2=CC=CC3=CC4=C(C(=CC=C4)N)C(=C32)C1=O

Molecular Processing

Molecular formula

C20H19N3O2

Molecular weight

333.39

Exact mass

333.1477

XLogP

2.73

TPSA

66.64

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.2

Molar refractivity

99.79

Supplementary Information

InChIKey: KJDQEAYPSNOTSK-UHFFFAOYSA-N

Sinónimos

CHEMBL148027SCHEMBL3295942KJDQEAYPSNOTSK-UHFFFAOYSA-N11-amino-2-[2-(dimethylamino)ethyl]-1H-dibenzo[de,h]isoquinoline-1,3(2H)-dione