N,N'-Bis[6-(2-ethylhexanoylamino)pyrid-2-yl]-5-iodoisophthalamide | SBID = 1925 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C34H43IN6O4 | ||
| M / g/mol: | 726.647490000001 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: hamilton receptor, aromatic
- Name: N,N'-Bis[6-(2-ethylhexanoylamino)pyrid-2-yl]-5-iodoisophthalamide
- Preferred Abbreviation: 5-Iodo-N,N'-Bis[6-(2-ethylhexanoylamino)pyrid-2-yl]isophthalamide
- IUPAC Name:
- CAS:
- CID: -832
- InChiKey: ABSOKUVMEZMBDY-UHFFFAOYSA-N
- InChi: InChI=1S/C34H43IN6O4/c1-5-9-13-22(7-3)31(42)38-27-15-11-17-29(36-27)40-33(44)24-19-25(21-26(35)20-24)34(45)41-30-18-12-16-28(37-30)39-32(43)23(8-4)14-10-6-2/h11-12,15-23H,5-10,13-14H2,1-4H3,(H2,36,38,40,42,44)(H2,37,39,41,43,45)
- CanoSmiles: CCCCC(C(=O)Nc1cccc(n1)NC(=O)c1cc(I)cc(c1)C(=O)Nc1cccc(n1)NC(=O)C(CCCC)CC)CC
- IsoSmiles: CCCCC(CC)C(=O)Nc3cccc(NC(=O)c2cc(I)cc(C(=O)Nc1cccc(NC(=O)C(CC)CCCC)n1)c2)n3
