2-(4-methylphenyl)-7-{[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(4-methylphenyl)-7-{[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(4-methylphenyl)-7-{[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0167 |
| Compound Name: | 2-(4-methylphenyl)-7-{[4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 535.69 |
| Molecular Formula: | C27 H29 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CN3CCN(CC3)S(c3ccc4CCCCc4c3)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.3465 |
| logD: | 4.3426 |
| logSw: | -4.2953 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.443 |
| InChI Key: | BXNJSKPULGASNX-UHFFFAOYSA-N |