7-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0343 |
| Compound Name: | 7-{[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 550.03 |
| Molecular Formula: | C23 H21 Cl F N5 O4 S2 |
| Smiles: | COc1ccc(cc1S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccc(c1)F)=N2)=O)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9585 |
| logD: | 2.9569 |
| logSw: | -3.4441 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.152 |
| InChI Key: | AKJBZIYEUQPUTK-UHFFFAOYSA-N |