2-(3-methylphenyl)-7-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(3-methylphenyl)-7-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-methylphenyl)-7-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0163 |
| Compound Name: | 2-(3-methylphenyl)-7-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 503.67 |
| Molecular Formula: | C28 H33 N5 O2 S |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccc(C)c1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5479 |
| logD: | 4.5278 |
| logSw: | -4.4002 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.493 |
| InChI Key: | QTLQAOXTQLKDBI-UHFFFAOYSA-N |