4-(2H-1,3-benzodioxol-5-yl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
4-(2H-1,3-benzodioxol-5-yl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | L810-0023 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H18 N2 O5 S |
| Smiles: | C1CCN(C1)C(C1=CN(c2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1022 |
| logD: | 2.1022 |
| logSw: | -2.8373 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.08 |
| InChI Key: | HFDXNWRTNLWKCN-UHFFFAOYSA-N |