3-(2H-1,3-benzodioxol-5-yl)-7-[(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 4268-0050 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-7-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C20 H17 N3 O4 S |
| Smiles: | COc1ccc(/C=C2/C(N3CN(CN=C3S2)c2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3654 |
| logD: | 4.3459 |
| logSw: | -4.4324 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.165 |
| InChI Key: | ZKIJIJYNYUQKLE-UHFFFAOYSA-N |