methyl 2-[(4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate
methyl 2-[(4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G768-1524 |
| Compound Name: | methyl 2-[(4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C23 H22 N6 O4 S2 |
| Smiles: | COC(c1ccccc1NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6284 |
| logD: | 2.543 |
| logSw: | -3.3271 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.775 |
| InChI Key: | NTOVKTDSOMXYIJ-UHFFFAOYSA-N |