N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(4-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(4-nitrophenoxy)acetamide
N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(4-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | D107-1029 |
| Compound Name: | N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(4-nitrophenoxy)acetamide |
| Molecular Weight: | 331.33 |
| Molecular Formula: | C16 H17 N3 O5 |
| Smiles: | [H]N(C(COc1ccc(cc1)[N+]([O-])=O)=O)c1c2CC(C)CCc2no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0217 |
| logD: | 3.0065 |
| logSw: | -3.616 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.506 |
| InChI Key: | LJFGHKBTZTUHPE-SNVBAGLBSA-N |