1-(butan-2-yl)-3-hydroxy-4-{4-[(prop-2-en-1-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-[(prop-2-en-1-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-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8016-3309 |
| Compound Name: | 1-(butan-2-yl)-3-hydroxy-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 373.47 |
| Molecular Formula: | C19 H23 N3 O3 S |
| Smiles: | CCC(C)n1c2c(C(c3ccc(cc3)OCC=C)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3102 |
| logD: | 2.6679 |
| logSw: | -3.4204 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.412 |
| InChI Key: | HQGBEXGFWUNAHY-UHFFFAOYSA-N |