11-(5-bromo-2-fluorophenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Chemical Structure Depiction of
11-(5-bromo-2-fluorophenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
11-(5-bromo-2-fluorophenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Compound characteristics
| Compound ID: | C472-0111 |
| Compound Name: | 11-(5-bromo-2-fluorophenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol |
| Molecular Weight: | 438.32 |
| Molecular Formula: | C22 H13 Br F N O S |
| Smiles: | c1ccc2C3C(C(c4cc(ccc4F)[Br])Sc4ccccc4N=3)=C(c2c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6067 |
| logD: | 4.2849 |
| logSw: | -6.0279 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.9064 |
| InChI Key: | RFDSFQKMKPWWDY-JOCHJYFZSA-N |