[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-chlorobenzoate
Chemical Structure Depiction of
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-chlorobenzoate
[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-chlorobenzoate
Compound characteristics
| Compound ID: | G265-0727 |
| Compound Name: | [5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-chlorobenzoate |
| Molecular Weight: | 403.86 |
| Molecular Formula: | C17 H10 Cl N3 O3 S2 |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)OC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0649 |
| logD: | 4.0649 |
| logSw: | -4.4594 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.147 |
| InChI Key: | UFMYDOKQLVAEQU-UHFFFAOYSA-N |