Molecule ID: 19950

IUPAC Name: 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea

Description: The molecule is a derivative of biuret having three 6-isocyanatohexyl groups at the 1-, 3- and 5-positions. It derives from a biuret.

SMILES: O=C=NCCCCCCN=C(O)N(CCCCCCN=C=O)C(O)=NCCCCCCN=C=O

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

InChI: InChI=1S/C23H38N6O5/c30-19-24-13-7-1-3-10-16-27-22(33)29(18-12-6-5-9-15-26-21-32)23(34)28-17-11-4-2-8-14-25-20-31/h1-18H2,(H,27,33)(H,28,34)

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: 6.9