Molecule ID: 49866485

IUPAC Name: (1S)-1-[4-[5-[4-[(S)-amino-[[(2R)-pentan-2-yl]amino]methyl]phenyl]furan-2-yl]phenyl]-N'-[(2R)-pentan-2-yl]methanediamine

Description: The molecule is a substituted diphenylfuran in which two amino[(1-methylbutyl)amino]methyl substituents are located at the two para-positions on the phenyl rings. It is a substituted diphenylfuran and an aminal. It derives from a hydride of a 2,5-diphenylfuran.

SMILES: CCC[C@@H](C)N[C@H](N)c1ccc(-c2ccc(-c3ccc([C@@H](N)N[C@H](C)CCC)cc3)o2)cc1

SELFIES: [C][C][C][C@@H1][Branch1][C][C][N][C@H1][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C@@H1][Branch1][C][N][N][C@H1][Branch1][C][C][C][C][C][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]

InChI: InChI=1S/C28H40N4O/c1-5-7-19(3)31-27(29)23-13-9-21(10-14-23)25-17-18-26(33-25)22-11-15-24(16-12-22)28(30)32-20(4)8-6-2/h9-20,27-28,31-32H,5-8,29-30H2,1-4H3/t19-,20-,27+,28+/m1/s1

Molecular Properties:
- Polar Surface Area: 89.2 Ų
- LogP: 4.8