4-[4-(benzyloxy)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[4-(benzyloxy)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[4-(benzyloxy)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5897-0208 |
| Compound Name: | 4-[4-(benzyloxy)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C26 H23 N3 O2 S |
| Smiles: | Cc1c2C(c3ccc(cc3)OCc3ccccc3)SCC(Nc2n(c2ccccc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8937 |
| logD: | 4.8936 |
| logSw: | -4.7906 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.65 |
| InChI Key: | WLCTWGQCBPAZPJ-RUZDIDTESA-N |