4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Chemical Structure Depiction of
4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Compound characteristics
| Compound ID: | 8020-7054 |
| Compound Name: | 4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C17 H19 N3 O4 S |
| Smiles: | CC(C)N1C2=C(C(c3cc(c4c(c3)OCO4)OC)SC(C)=N2)C(N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9392 |
| logD: | 2.939 |
| logSw: | -3.2461 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.331 |
| InChI Key: | NXOSHXJINBWVMK-OAHLLOKOSA-N |