1-(butan-2-yl)-4-(4-chlorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(butan-2-yl)-4-(4-chlorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(butan-2-yl)-4-(4-chlorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5545-0009 |
| Compound Name: | 1-(butan-2-yl)-4-(4-chlorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 351.85 |
| Molecular Formula: | C16 H18 Cl N3 O2 S |
| Smiles: | CCC(C)n1c2c(C(c3ccc(cc3)[Cl])SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3717 |
| logD: | 2.7295 |
| logSw: | -3.8227 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.994 |
| InChI Key: | AFASFBTYVYASHR-UHFFFAOYSA-N |