11-(2,3,4-trimethoxyphenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Chemical Structure Depiction of
11-(2,3,4-trimethoxyphenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
11-(2,3,4-trimethoxyphenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
Compound characteristics
| Compound ID: | C472-0044 |
| Compound Name: | 11-(2,3,4-trimethoxyphenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C25 H21 N O4 S |
| Smiles: | COc1ccc(C2C3=C(c4ccccc4C3=Nc3ccccc3S2)O)c(c1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4984 |
| logD: | 3.1766 |
| logSw: | -4.3069 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.971 |
| InChI Key: | CNKQJKURHKNBEP-RUZDIDTESA-N |