Molecule ID: 134716590

IUPAC Name: N,N'-bis[2-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]ethyl]-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propanediamide

Description: The molecule is a dendrimer macromolecule consisting of a malonamide core, each N of which carries a 2-(bis{2-[(2-aminoethyl)amino]-2-oxoethyl}amino)ethyl branch and with a 2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl substituent at C-2.

SMILES: C#CCOCCOCCOCCC(C(O)=NCCN(CC(O)=NCCN)CC(O)=NCCN)C(O)=NCCN(CC(O)=NCCN)CC(O)=NCCN

SELFIES: [C][#C][C][O][C][C][O][C][C][O][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][=N][C][C][N][Branch1][#Branch2][C][C][Branch1][C][O][=N][C][C][N][C][C][Branch1][C][O][=N][C][C][N][C][Branch1][C][O][=N][C][C][N][Branch1][#Branch2][C][C][Branch1][C][O][=N][C][C][N][C][C][Branch1][C][O][=N][C][C][N]

InChI: InChI=1S/C32H62N12O9/c1-2-16-51-18-20-53-21-19-52-17-3-26(31(49)41-12-14-43(22-27(45)37-8-4-33)23-28(46)38-9-5-34)32(50)42-13-15-44(24-29(47)39-10-6-35)25-30(48)40-11-7-36/h1,26H,3-25,33-36H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,50)

Molecular Properties:
- Polar Surface Area: 313.0 Ų
- LogP: -7.3