3-methyl-1-phenyl-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-1-phenyl-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-1-phenyl-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5897-0207 |
| Compound Name: | 3-methyl-1-phenyl-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | CC(C)Oc1ccc(cc1)C1c2c(C)nn(c3ccccc3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1459 |
| logD: | 4.1458 |
| logSw: | -4.114 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.225 |
| InChI Key: | QUIGEOYMAQFVPO-OAQYLSRUSA-N |