2-(3-fluorophenyl)-7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(3-fluorophenyl)-7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-fluorophenyl)-7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0358 |
| Compound Name: | 2-(3-fluorophenyl)-7-{[4-(1H-imidazole-4-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C19 H18 F N7 O3 S2 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1cccc(c1)F)=N2)=O)S(c1c[nH]cn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9393 |
| logD: | 0.9372 |
| logSw: | -2.4817 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.595 |
| InChI Key: | OFWMDSXEQYJUOK-UHFFFAOYSA-N |