4-butyl-1,2-diphenylpyrazolidine-3,5-dione | SBID = 2106 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 40.6 | ||
| Ertl TPSA/Å2: | 40.62 | ||
| Hydrophilicity (PubChem XLogP): | 3.2 | ||
| Hydrophilicity (Cheng XLogP3): | 3.16 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 248.3 | ||
| Sum Formula: | C19H20N2O2 | ||
| M / g/mol: | 308.4 | ||
| Complexity: | 389.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione
- Preferred Abbreviation: phenylbutazone
- IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione
- CAS:
- CID: 4781
- InChiKey: VYMDGNCVAMGZFE-UHFFFAOYSA-N
- InChi: InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
- CanoSmiles: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
- IsoSmiles: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
