4-(4-butoxyphenyl)-1,3-diphenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepine
Chemical Structure Depiction of
4-(4-butoxyphenyl)-1,3-diphenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepine
4-(4-butoxyphenyl)-1,3-diphenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepine
Compound characteristics
| Compound ID: | D068-0119 |
| Compound Name: | 4-(4-butoxyphenyl)-1,3-diphenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepine |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C28 H29 N3 O S |
| Smiles: | CCCCOc1ccc(cc1)C1c2c(c3ccccc3)nn(c3ccccc3)c2NCCS1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8751 |
| logD: | 6.8751 |
| logSw: | -5.87 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.42 |
| InChI Key: | PGYVNGOWPUZSAX-HHHXNRCGSA-N |