2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)prop-2-enenitrile
2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | 1621-1939 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)prop-2-enenitrile |
| Molecular Weight: | 392.39 |
| Molecular Formula: | C19 H12 N4 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)c1csc(C(=C/Nc2ccccc2[N+]([O-])=O)\C#N)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8153 |
| logD: | 4.8132 |
| logSw: | -4.9464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.856 |
| InChI Key: | ARNUGJGHFAZTMW-UHFFFAOYSA-N |