7-{[4-(4-ethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(4-ethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(4-ethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0452 |
| Compound Name: | 7-{[4-(4-ethoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C22 H23 N5 O4 S3 |
| Smiles: | CCOc1ccc(cc1)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7878 |
| logD: | 2.7862 |
| logSw: | -3.1976 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.664 |
| InChI Key: | NTNRLWFOUBQRHJ-UHFFFAOYSA-N |