N-(4-fluorophenyl)-4-{[2-(3-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-4-{[2-(3-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(4-fluorophenyl)-4-{[2-(3-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1605 |
| Compound Name: | N-(4-fluorophenyl)-4-{[2-(3-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C24 H23 F N6 O3 S |
| Smiles: | COc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)C(Nc3ccc(cc3)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.7363 |
| logD: | 2.6517 |
| logSw: | -3.4245 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.824 |
| InChI Key: | OHJOYMNDTOAEQG-UHFFFAOYSA-N |