4-(2H-1,3-benzodioxol-5-yl)-1-(butan-2-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1-(butan-2-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2H-1,3-benzodioxol-5-yl)-1-(butan-2-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5545-0013 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(butan-2-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C17 H19 N3 O4 S |
| Smiles: | CCC(C)n1c2c(C(c3ccc4c(c3)OCO4)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7256 |
| logD: | 2.0834 |
| logSw: | -3.1159 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.109 |
| InChI Key: | UEXRYUAOMLOVSX-UHFFFAOYSA-N |