4-(2H-1,3-benzodioxol-5-yl)-1-cyclohexyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1-cyclohexyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2H-1,3-benzodioxol-5-yl)-1-cyclohexyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5545-0027 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-cyclohexyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C19 H21 N3 O4 S |
| Smiles: | C1CCC(CC1)n1c2c(C(c3ccc4c(c3)OCO4)SCC(N2)=O)c(n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2387 |
| logD: | 2.5964 |
| logSw: | -3.3501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.754 |
| InChI Key: | IAOFZYZWNXLHJX-QGZVFWFLSA-N |