Propanediurea Clip | SBID = 1903 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C28H28N8O4 | ||
| M / g/mol: | 540.58 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical host
- Name: Propanediurea Clip
- Preferred Abbreviation: Propanediurea Clip
- IUPAC Name:
- CAS: 1999502-47-4
- CID: -814
- InChiKey: SONREOFBNLAWEL-UHFFFAOYSA-N
- InChi: InChI=1S/C28H28N8O4/c37-25-29-11-17-5-1-2-6-18(17)12-30-21(29)9-23-33(25)15-35-24-10-22-31(27(35)39)13-19-7-3-4-8-20(19)14-32(22)28(40)36(24)16-34(23)26(30)38/h1-8,21-24H,9-16H2
- CanoSmiles: O=C(N(C([H])([H])C1=CC=CC=C1C2)C3N2C(N(C4C3)CN(C(N5C6)=O)C7CC5N8CC9=C6C=CC=C9)=O)N4C([H])([H])N7C8=O
- IsoSmiles: O=C(N(C([H])([H])C1=CC=CC=C1C2)C3N2C(N(C4C3)CN(C(N5C6)=O)C7CC5N8CC9=C6C=CC=C9)=O)N4C([H])([H])N7C8=O
