4-(4-ethoxyphenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-ethoxyphenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-ethoxyphenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0071 |
| Compound Name: | 4-(4-ethoxyphenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C19 H25 N3 O3 S |
| Smiles: | CCC(CC)n1c2c(C(c3ccc(cc3)OCC)SCC(N2)=O)c(n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4995 |
| logD: | 2.8573 |
| logSw: | -3.4958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.702 |
| InChI Key: | UGBBCJNICAXTAU-QGZVFWFLSA-N |