11-(2,3-dimethoxyphenyl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
Chemical Structure Depiction of
11-(2,3-dimethoxyphenyl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
11-(2,3-dimethoxyphenyl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
Compound characteristics
| Compound ID: | 4151-0534 |
| Compound Name: | 11-(2,3-dimethoxyphenyl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C24 H19 N O3 S |
| Smiles: | COc1cccc(C2C3=C(c4ccccc4C3=O)Nc3ccccc3S2)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0641 |
| logD: | 5.064 |
| logSw: | -4.704 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.099 |
| InChI Key: | ZSNSXBHWDUVOFO-XMMPIXPASA-N |