1-cycloheptyl-3-hydroxy-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-cycloheptyl-3-hydroxy-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-cycloheptyl-3-hydroxy-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0021 |
| Compound Name: | 1-cycloheptyl-3-hydroxy-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C19 H23 N3 O2 S |
| Smiles: | C1CCCC(CC1)n1c2c(C(c3ccccc3)SCC(N2)=O)c(n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7903 |
| logD: | 3.148 |
| logSw: | -3.8052 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.97 |
| InChI Key: | BXEUNNJPSJCGFG-QGZVFWFLSA-N |