1-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethan-1-one
Chemical Structure Depiction of
1-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethan-1-one
1-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | F053-0590 |
| Compound Name: | 1-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethan-1-one |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C22 H25 N3 O5 S2 |
| Smiles: | CC(N1CCSc2ccc(cc12)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3561 |
| logD: | 2.261 |
| logSw: | -2.7977 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 68.658 |
| InChI Key: | IOEMENXZBMHWBQ-UHFFFAOYSA-N |