[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate
Compound characteristics
| Compound ID: | G265-0236 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-bromobenzoate |
| Molecular Weight: | 422.3 |
| Molecular Formula: | C17 H16 Br N3 O3 S |
| Smiles: | CC(C)CC1=NN2C(=NC(COC(c3ccc(cc3)[Br])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5802 |
| logD: | 4.5777 |
| logSw: | -4.483 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.304 |
| InChI Key: | DYFADUJNUHBQGO-UHFFFAOYSA-N |