N-{3-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-[(4-methylphenyl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{3-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-[(4-methylphenyl)sulfanyl]acetamide
N-{3-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-[(4-methylphenyl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C679-4384 |
| Compound Name: | N-{3-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-[(4-methylphenyl)sulfanyl]acetamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | CCC1=NN2C(=NC(COc3cccc(c3)NC(CSc3ccc(C)cc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4653 |
| logD: | 4.4588 |
| logSw: | -4.3542 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.551 |
| InChI Key: | KSEJOFNDPWRZJZ-UHFFFAOYSA-N |