4-(4-bromophenyl)-1-cyclopentyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-bromophenyl)-1-cyclopentyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-bromophenyl)-1-cyclopentyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0161 |
| Compound Name: | 4-(4-bromophenyl)-1-cyclopentyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 408.31 |
| Molecular Formula: | C17 H18 Br N3 O2 S |
| Smiles: | C1CCC(C1)n1c2c(C(c3ccc(cc3)[Br])SCC(N2)=O)c(n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6113 |
| logD: | 2.969 |
| logSw: | -3.6818 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.005 |
| InChI Key: | KGZDLBAMRPDYAY-OAHLLOKOSA-N |