ethyl 3-{[1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carbonyl]amino}benzoate
ethyl 3-{[1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C885-0389 |
| Compound Name: | ethyl 3-{[1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C21 H23 N5 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(C1CCCN(C1)C1=NN2C(=NC(C)=CC2=O)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7461 |
| logD: | 2.741 |
| logSw: | -3.2683 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.749 |
| InChI Key: | YHRQRCWERFZSQS-HNNXBMFYSA-N |