1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-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-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-1526 |
| Compound Name: | 1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C20 H18 Cl N3 O3 S |
| Smiles: | Cc1c2C(c3ccc(c(c3)OC)O)SCC(Nc2n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4689 |
| logD: | 3.4653 |
| logSw: | -3.8936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.601 |
| InChI Key: | FQWYIHXRKLFZEB-LJQANCHMSA-N |