4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl benzoate
Chemical Structure Depiction of
4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl benzoate
4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl benzoate
Compound characteristics
| Compound ID: | C472-0106 |
| Compound Name: | 4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl benzoate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C29 H19 N O3 S |
| Smiles: | c1ccc(cc1)C(=O)Oc1ccc(cc1)C1C2=C(c3ccccc3C2=Nc2ccccc2S1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6393 |
| logD: | 4.3175 |
| logSw: | -5.7744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.284 |
| InChI Key: | BDIFGEFNXWLBBG-MUUNZHRXSA-N |