4-(4-ethoxy-3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-ethoxy-3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-ethoxy-3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-1961 |
| Compound Name: | 4-(4-ethoxy-3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CCOc1ccc(cc1OC)C1c2c(C)nn(c3cccc(C)c3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0903 |
| logD: | 4.0903 |
| logSw: | -4.2158 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.263 |
| InChI Key: | KHQQCXXRGXSAFF-JOCHJYFZSA-N |