3-hydroxy-1-(pentan-2-yl)-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
3-hydroxy-1-(pentan-2-yl)-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-1-(pentan-2-yl)-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: | D068-0085 |
| Compound Name: | 3-hydroxy-1-(pentan-2-yl)-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: | 387.5 |
| Molecular Formula: | C20 H25 N3 O3 S |
| Smiles: | CCCC(C)n1c2c(C(c3ccc(cc3)OCC=C)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7556 |
| logD: | 3.1134 |
| logSw: | -3.8303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.412 |
| InChI Key: | DYOKCUFIRHAXFQ-UHFFFAOYSA-N |