1-(2-chlorophenyl)-3-methyl-4-{2-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2-chlorophenyl)-3-methyl-4-{2-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2-chlorophenyl)-3-methyl-4-{2-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0513 |
| Compound Name: | 1-(2-chlorophenyl)-3-methyl-4-{2-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C22 H22 Cl N3 O2 S |
| Smiles: | CC(C)Oc1ccccc1C1c2c(C)nn(c3ccccc3[Cl])c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8052 |
| logD: | 4.8047 |
| logSw: | -4.7776 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.011 |
| InChI Key: | PUVDYMAFFHLQRI-OAQYLSRUSA-N |