11-(2H-1,3-benzodioxol-5-yl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Chemical Structure Depiction of
11-(2H-1,3-benzodioxol-5-yl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
11-(2H-1,3-benzodioxol-5-yl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Compound characteristics
| Compound ID: | C472-0089 |
| Compound Name: | 11-(2H-1,3-benzodioxol-5-yl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C23 H15 N O3 S |
| Smiles: | C1Oc2ccc(cc2O1)C1C2=C(c3ccccc3C2=Nc2ccccc2S1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5935 |
| logD: | 3.2717 |
| logSw: | -4.3819 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.022 |
| InChI Key: | CBNQODWBEWQUED-HSZRJFAPSA-N |