3-(2H-1,3-benzodioxol-5-yl)-7-[(4-ethoxyphenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-7-[(4-ethoxyphenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
3-(2H-1,3-benzodioxol-5-yl)-7-[(4-ethoxyphenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 4268-0059 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-7-[(4-ethoxyphenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | CCOc1ccc(/C=C2/C(N3CN(CN=C3S2)c2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.752 |
| logD: | 4.7325 |
| logSw: | -4.4769 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.745 |
| InChI Key: | SHPBXAKXZUFQKP-UHFFFAOYSA-N |