Molecule ID: 77411

IUPAC Name: 1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione

Description: The molecule is a derivative of isocyanuric acid having a 6-isocyanatohexyl group at each of the 1-, 3- and 5-positions. It derives from an isocyanuric acid.

SMILES: O=C=NCCCCCCn1c(=O)n(CCCCCCN=C=O)c(=O)n(CCCCCCN=C=O)c1=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][Branch1][#Branch2][C][C][C][C][C][C][N][=C][=O][C][Ring2][Ring1][#Branch2][=O]

InChI: InChI=1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2

Molecular Properties:
- Polar Surface Area: 149.0 Ų
- LogP: 6.0