[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-bromobenzoate
Chemical Structure Depiction of
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-bromobenzoate
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-bromobenzoate
Compound characteristics
| Compound ID: | G265-0691 |
| Compound Name: | [5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-bromobenzoate |
| Molecular Weight: | 448.31 |
| Molecular Formula: | C17 H10 Br N3 O3 S2 |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)OC(c1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.628 |
| logD: | 3.628 |
| logSw: | -4.0478 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.147 |
| InChI Key: | AEXWIFGOAYQHMP-UHFFFAOYSA-N |