3-(3-bromophenyl)-7-[(5-methylfuran-2-yl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
3-(3-bromophenyl)-7-[(5-methylfuran-2-yl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
3-(3-bromophenyl)-7-[(5-methylfuran-2-yl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 5521-0017 |
| Compound Name: | 3-(3-bromophenyl)-7-[(5-methylfuran-2-yl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 404.28 |
| Molecular Formula: | C17 H14 Br N3 O2 S |
| Smiles: | Cc1ccc(/C=C2/C(N3CN(CN=C3S2)c2cccc(c2)[Br])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0643 |
| logD: | 5.0599 |
| logSw: | -4.7609 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.769 |
| InChI Key: | JUGPCVKEHLTNGN-UHFFFAOYSA-N |