2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-nitro-1,3-benzothiazole
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-nitro-1,3-benzothiazole
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-nitro-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8008-2983 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-nitro-1,3-benzothiazole |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)c1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9133 |
| logD: | 3.0218 |
| logSw: | -4.1197 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.264 |
| InChI Key: | DHSJKZXBHLJVGY-UHFFFAOYSA-N |