N-(4-bromophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
N-(4-bromophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3378 |
| Compound Name: | N-(4-bromophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 321.17 |
| Molecular Formula: | C14 H13 Br N2 O2 |
| Smiles: | C1CCc2c(C1)c(C(Nc1ccc(cc1)[Br])=O)no2 |
| Stereo: | ACHIRAL |
| logP: | 3.6698 |
| logD: | 3.6682 |
| logSw: | -4.0175 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.729 |
| InChI Key: | YSJUVACQKBNUGZ-UHFFFAOYSA-N |