4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl acetate
Chemical Structure Depiction of
4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl acetate
4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl acetate
Compound characteristics
| Compound ID: | C472-0136 |
| Compound Name: | 4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl acetate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C24 H17 N O3 S |
| Smiles: | CC(=O)Oc1ccc(cc1)C1C2=C(c3ccccc3C2=Nc2ccccc2S1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1242 |
| logD: | 2.8024 |
| logSw: | -4.2189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.658 |
| InChI Key: | ZCZXFNPVDMSYIR-XMMPIXPASA-N |