4-(4-bromophenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-bromophenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-bromophenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0074 |
| Compound Name: | 4-(4-bromophenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 410.33 |
| Molecular Formula: | C17 H20 Br N3 O2 S |
| Smiles: | CCC(CC)n1c2c(C(c3ccc(cc3)[Br])SCC(N2)=O)c(n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9645 |
| logD: | 3.3222 |
| logSw: | -3.9069 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.578 |
| InChI Key: | VGNMPKDLHTWXRG-OAHLLOKOSA-N |