3-methyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
3-methyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
3-methyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | D344-9226 |
| Compound Name: | 3-methyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C16 H11 N5 O4 S2 |
| Smiles: | CC1=CSC2=NC(CSc3nnc(c4ccc(cc4)[N+]([O-])=O)o3)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.359 |
| logD: | 2.359 |
| logSw: | -2.5099 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.065 |
| InChI Key: | ZASXYXQBPQMZEP-UHFFFAOYSA-N |