3-(2H-1,3-benzodioxol-5-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 4100-4524 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]prop-2-enamide |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C19 H13 N3 O7 S2 |
| Smiles: | C1Oc2ccc(/C=C/C(Nc3ncc(s3)S(c3ccc(cc3)[N+]([O-])=O)(=O)=O)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.3115 |
| logD: | 4.3067 |
| logSw: | -4.3608 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.682 |
| InChI Key: | VOAOPSMHEZNZMN-UHFFFAOYSA-N |