[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate
Chemical Structure Depiction of
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate
Compound characteristics
| Compound ID: | G265-1042 |
| Compound Name: | [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate |
| Molecular Weight: | 438.3 |
| Molecular Formula: | C17 H16 Br N3 O4 S |
| Smiles: | CCOCCC1=NN2C(=NC(COC(c3ccc(cc3)[Br])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6352 |
| logD: | 3.6345 |
| logSw: | -3.9016 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.281 |
| InChI Key: | CMPVYYMIKCKMAD-UHFFFAOYSA-N |