2-methyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-methyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-methyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | D344-9228 |
| Compound Name: | 2-methyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C15 H10 N6 O4 S2 |
| Smiles: | CC1=NN2C(=NC(CSc3nnc(c4ccc(cc4)[N+]([O-])=O)o3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.4152 |
| logD: | 2.4127 |
| logSw: | -2.5098 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.923 |
| InChI Key: | SPYMLPSEMMHGML-UHFFFAOYSA-N |