ethyl {2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-6-nitro-1,3-benzothiazol-3(2H)-yl}acetate
Chemical Structure Depiction of
ethyl {2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-6-nitro-1,3-benzothiazol-3(2H)-yl}acetate
ethyl {2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-6-nitro-1,3-benzothiazol-3(2H)-yl}acetate
Compound characteristics
| Compound ID: | G786-0370 |
| Compound Name: | ethyl {2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)imino]-6-nitro-1,3-benzothiazol-3(2H)-yl}acetate |
| Molecular Weight: | 443.43 |
| Molecular Formula: | C20 H17 N3 O7 S |
| Smiles: | CCOC(CN1/C(=N/C(c2ccc3c(c2)OCCO3)=O)Sc2cc(ccc12)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3796 |
| logD: | 2.3796 |
| logSw: | -2.8587 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.894 |
| InChI Key: | QNVYJAWCSFZHCN-UHFFFAOYSA-N |