2-(5,7-di-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-4-nitrophenol
Chemical Structure Depiction of
2-(5,7-di-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-4-nitrophenol
2-(5,7-di-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-4-nitrophenol
Compound characteristics
| Compound ID: | 3093-0004 |
| Compound Name: | 2-(5,7-di-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-4-nitrophenol |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C21 H26 N2 O4 |
| Smiles: | CC(C)(C)c1cc(c2c(c1)NC(c1cc(ccc1O)[N+]([O-])=O)O2)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4245 |
| logD: | 6.2519 |
| logSw: | -5.6105 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.017 |
| InChI Key: | MHRXHFLJSIDINX-IBGZPJMESA-N |