11-(5-bromo-2-methoxyphenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Chemical Structure Depiction of
11-(5-bromo-2-methoxyphenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
11-(5-bromo-2-methoxyphenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Compound characteristics
| Compound ID: | C472-0046 |
| Compound Name: | 11-(5-bromo-2-methoxyphenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol |
| Molecular Weight: | 450.35 |
| Molecular Formula: | C23 H16 Br N O2 S |
| Smiles: | COc1ccc(cc1C1C2=C(c3ccccc3C2=Nc2ccccc2S1)O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5053 |
| logD: | 4.1835 |
| logSw: | -5.3561 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.5368 |
| InChI Key: | YGTYJJWVABBPMV-HSZRJFAPSA-N |