7-{[4-(5-chlorothiophene-2-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-(5-chlorothiophene-2-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(5-chlorothiophene-2-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0469 |
| Compound Name: | 7-{[4-(5-chlorothiophene-2-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 514.06 |
| Molecular Formula: | C18 H16 Cl N5 O3 S4 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)S(c1ccc(s1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8006 |
| logD: | 2.7983 |
| logSw: | -3.3329 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.559 |
| InChI Key: | IKZLNXQIUJWJHB-UHFFFAOYSA-N |