4-(2-ethoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2-ethoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2-ethoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-1887 |
| Compound Name: | 4-(2-ethoxyphenyl)-3-methyl-1-(3-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | CCOc1ccccc1C1c2c(C)nn(c3cccc(C)c3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5817 |
| logD: | 4.5817 |
| logSw: | -4.3361 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.632 |
| InChI Key: | WSIGWOTWCFJIML-OAQYLSRUSA-N |