N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-3-nitrobenzamide
N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | D107-1085 |
| Compound Name: | N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-3-nitrobenzamide |
| Molecular Weight: | 301.3 |
| Molecular Formula: | C15 H15 N3 O4 |
| Smiles: | [H]N(C(c1cccc(c1)[N+]([O-])=O)=O)c1c2CC(C)CCc2no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0344 |
| logD: | 1.8603 |
| logSw: | -3.5297 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.22 |
| InChI Key: | RXXAVBQKKQADPD-SECBINFHSA-N |