1-cycloheptyl-4-(4-ethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-cycloheptyl-4-(4-ethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-cycloheptyl-4-(4-ethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0027 |
| Compound Name: | 1-cycloheptyl-4-(4-ethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)C1c2c(nn(C3CCCCCC3)c2NC(CS1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1549 |
| logD: | 3.5127 |
| logSw: | -3.8294 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.093 |
| InChI Key: | OEPZPULQLPNDNN-LJQANCHMSA-N |