1-cycloheptyl-4-(3,4-dimethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-cycloheptyl-4-(3,4-dimethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-cycloheptyl-4-(3,4-dimethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0024 |
| Compound Name: | 1-cycloheptyl-4-(3,4-dimethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C1c2c(nn(C3CCCCCC3)c2NC(CS1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4364 |
| logD: | 2.7941 |
| logSw: | -3.6869 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.231 |
| InChI Key: | XFXOCFNPOXNWPI-LJQANCHMSA-N |