1-(butan-2-yl)-3-hydroxy-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
1-(butan-2-yl)-3-hydroxy-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(butan-2-yl)-3-hydroxy-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: | 5545-0069 |
| Compound Name: | 1-(butan-2-yl)-3-hydroxy-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C19 H25 N3 O3 S |
| Smiles: | CCC(C)n1c2c(C(c3ccc(cc3)OC(C)C)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4436 |
| logD: | 2.8013 |
| logSw: | -3.6004 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.797 |
| InChI Key: | DHJFGHCLOQAWEX-UHFFFAOYSA-N |