N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1081 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C26 H26 N6 O4 S |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CN3CCN(CC3)C(Nc3ccc4c(c3)OCCO4)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.8767 |
| logD: | 1.7921 |
| logSw: | -2.9268 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.103 |
| InChI Key: | XZSZPOBHHDTUAO-UHFFFAOYSA-N |