6-(2-hydroxybut-3-yn-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
6-(2-hydroxybut-3-yn-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-3-carboxamide
6-(2-hydroxybut-3-yn-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | 8019-4240 |
| Compound Name: | 6-(2-hydroxybut-3-yn-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 248.28 |
| Molecular Formula: | C13 H16 N2 O3 |
| Smiles: | CC(C#C)(C1CC2CC1C1C2C(C(N)=O)=NO1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7166 |
| logD: | 0.7163 |
| logSw: | -1.8226 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.815 |
| InChI Key: | BBQJOVNBTRBPSE-UHFFFAOYSA-N |