4,5,6-tribromo-1,3-benzoxazol-2(3H)-one--piperazine (1/1)
Chemical Structure Depiction of
4,5,6-tribromo-1,3-benzoxazol-2(3H)-one--piperazine (1/1)
4,5,6-tribromo-1,3-benzoxazol-2(3H)-one--piperazine (1/1)
Compound characteristics
| Compound ID: | 8004-3836 |
| Compound Name: | 4,5,6-tribromo-1,3-benzoxazol-2(3H)-one--piperazine (1/1) |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C7 H2 Br3 N O2 |
| Salt: | NH(CH2CH2)2NH |
| Smiles: | c1c2c(c(c(c1[Br])[Br])[Br])NC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.1217 |
| logD: | 1.5596 |
| logSw: | -3.2601 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4041 |
| InChI Key: | IHAJPCFCLZWKJC-UHFFFAOYSA-N |