4-(4-bromophenyl)-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-bromophenyl)-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-bromophenyl)-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5545-0097 |
| Compound Name: | 4-(4-bromophenyl)-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 452.37 |
| Molecular Formula: | C19 H22 Br N3 O3 S |
| Smiles: | CC1(C)CC(CCO1)n1c2c(C(c3ccc(cc3)[Br])SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.426 |
| logD: | 2.7838 |
| logSw: | -3.493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.838 |
| InChI Key: | LAEZQJWZUHSRKV-UHFFFAOYSA-N |