4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)-2-methoxyphenyl acetate
4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | C472-0133 |
| Compound Name: | 4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)-2-methoxyphenyl acetate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C25 H19 N O4 S |
| Smiles: | CC(=O)Oc1ccc(cc1OC)C1C2=C(c3ccccc3C2=Nc2ccccc2S1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2088 |
| logD: | 2.887 |
| logSw: | -4.3223 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.375 |
| InChI Key: | JBSXCIIACCSYSH-RUZDIDTESA-N |