4-(4-bromophenyl)-3-hydroxy-1-(pentan-2-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-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-bromophenyl)-3-hydroxy-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0057 |
| Compound Name: | 4-(4-bromophenyl)-3-hydroxy-1-(pentan-2-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: | CCCC(C)n1c2c(C(c3ccc(cc3)[Br])SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0564 |
| logD: | 3.4141 |
| logSw: | -3.8968 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.994 |
| InChI Key: | LITJDAMZUQFAPD-UHFFFAOYSA-N |