2-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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: | G768-0731 |
| Compound Name: | 2-(2-methoxyphenyl)-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: | 519.67 |
| Molecular Formula: | C28 H33 N5 O3 S |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1OC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9462 |
| logD: | 3.9261 |
| logSw: | -4.1776 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.123 |
| InChI Key: | BHZORULMQINBLI-UHFFFAOYSA-N |