1-(ACETYLOXY)-1-BUTYL-3-METHYL-2-PHENYL-14-DIHYDRO-2LAMBDA541-BENZODIAZABORININ-2-YLIUM-1-UIDE
Chemical Structure Depiction of
1-(ACETYLOXY)-1-BUTYL-3-METHYL-2-PHENYL-14-DIHYDRO-2LAMBDA541-BENZODIAZABORININ-2-YLIUM-1-UIDE
1-(ACETYLOXY)-1-BUTYL-3-METHYL-2-PHENYL-14-DIHYDRO-2LAMBDA541-BENZODIAZABORININ-2-YLIUM-1-UIDE
Compound characteristics
| Compound ID: | 4218-0015 |
| Compound Name: | 1-(ACETYLOXY)-1-BUTYL-3-METHYL-2-PHENYL-14-DIHYDRO-2LAMBDA541-BENZODIAZABORININ-2-YLIUM-1-UIDE |
| Molecular Weight: | 336.24 |
| Molecular Formula: | C20 H25 B N2 O2 |
| Smiles: | [B-]1(CCCC)(c2ccccc2NC(C)=[N+]1c1ccccc1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9534 |
| logD: | 4.9534 |
| logSw: | -4.5087 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | HFYGLWQYFRHXTN-NRFANRHFSA-N |