4-(4-ethoxy-3-methoxyphenyl)-1-(4-ethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-ethoxy-3-methoxyphenyl)-1-(4-ethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-ethoxy-3-methoxyphenyl)-1-(4-ethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-1716 |
| Compound Name: | 4-(4-ethoxy-3-methoxyphenyl)-1-(4-ethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CCc1ccc(cc1)n1c2c(C(c3ccc(c(c3)OC)OCC)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5276 |
| logD: | 4.5275 |
| logSw: | -4.2993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.263 |
| InChI Key: | WATSACAWXXQEAH-HSZRJFAPSA-N |