7-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | D344-8129 |
| Compound Name: | 7-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 405.88 |
| Molecular Formula: | C16 H12 Cl N5 O2 S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3nnc(c4ccc(cc4)[Cl])o3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4556 |
| logD: | 3.4524 |
| logSw: | -3.9358 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.271 |
| InChI Key: | KMEHOSKGSLWFKS-UHFFFAOYSA-N |