1-BUTYL-1-HYDROXY-3-METHYL-2-PHENYL-1,4-DIHYDRO-2LAMBDA541-BENZODIAZABORININ-2-YLIUM-1-UIDE
Chemical Structure Depiction of
1-BUTYL-1-HYDROXY-3-METHYL-2-PHENYL-1,4-DIHYDRO-2LAMBDA541-BENZODIAZABORININ-2-YLIUM-1-UIDE
1-BUTYL-1-HYDROXY-3-METHYL-2-PHENYL-1,4-DIHYDRO-2LAMBDA541-BENZODIAZABORININ-2-YLIUM-1-UIDE
Compound characteristics
| Compound ID: | 4218-0008 |
| Compound Name: | 1-BUTYL-1-HYDROXY-3-METHYL-2-PHENYL-1,4-DIHYDRO-2LAMBDA541-BENZODIAZABORININ-2-YLIUM-1-UIDE |
| Molecular Weight: | 294.2 |
| Molecular Formula: | C18 H23 B N2 O |
| Smiles: | [B-]1(CCCC)(c2ccccc2NC(C)=[N+]1c1ccccc1)O |
| Stereo: | ACHIRAL |
| logP: | 4.7515 |
| logD: | 4.7486 |
| logSw: | -4.3348 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 32.516 |
| InChI Key: | LKAFZHGWAZQMBJ-IBGZPJMESA-N |