(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(cyclohexanecarbonyl)amino]benzoate
Chemical Structure Depiction of
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(cyclohexanecarbonyl)amino]benzoate
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(cyclohexanecarbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G357-1349 |
| Compound Name: | (2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(cyclohexanecarbonyl)amino]benzoate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | C1CCC(CC1)C(Nc1cccc(c1)C(=O)OCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2649 |
| logD: | 4.2579 |
| logSw: | -4.3429 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.935 |
| InChI Key: | YOGHDUZZQHLDQB-UHFFFAOYSA-N |