3-(5-bromo-2-hydroxyphenyl)-5-butyl-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Chemical Structure Depiction of
3-(5-bromo-2-hydroxyphenyl)-5-butyl-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
3-(5-bromo-2-hydroxyphenyl)-5-butyl-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Compound characteristics
| Compound ID: | 5055-3549 |
| Compound Name: | 3-(5-bromo-2-hydroxyphenyl)-5-butyl-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione |
| Molecular Weight: | 445.31 |
| Molecular Formula: | C21 H21 Br N2 O4 |
| Smiles: | CCCCN1C(C2C(c3cc(ccc3O)[Br])N(c3ccccc3)OC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.829 |
| logD: | 3.8284 |
| logSw: | -3.5519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.043 |
| InChI Key: | OHZDMHXAYPJNCU-UHFFFAOYSA-N |