2-(3-methylphenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(3-methylphenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-methylphenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0114 |
| Compound Name: | 2-(3-methylphenyl)-7-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C24 H25 N5 O3 S2 |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)S(Cc3ccccc3)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.5266 |
| logD: | 2.5253 |
| logSw: | -2.7505 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.416 |
| InChI Key: | FUMCNADPLIJJTP-UHFFFAOYSA-N |