1-(3-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(3-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-1529 |
| Compound Name: | 1-(3-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | Cc1c2C(c3cc(c(c(c3)OC)O)OC)SCC(Nc2n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2138 |
| logD: | 3.2062 |
| logSw: | -3.4958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.162 |
| InChI Key: | PFADDYORFWTAGX-HXUWFJFHSA-N |