2-(3-methoxyphenyl)-7-({4-[4-(propan-2-yl)benzoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-7-({4-[4-(propan-2-yl)benzoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(3-methoxyphenyl)-7-({4-[4-(propan-2-yl)benzoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0897 |
| Compound Name: | 2-(3-methoxyphenyl)-7-({4-[4-(propan-2-yl)benzoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C27 H29 N5 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccc(c1)OC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.685 |
| logD: | 3.6812 |
| logSw: | -4.0273 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.003 |
| InChI Key: | DCMMADMEQNFLNH-UHFFFAOYSA-N |