N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolinamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolinamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolinamide
Compound characteristics
| Compound ID: | C885-1290 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolinamide |
| Molecular Weight: | 531.54 |
| Molecular Formula: | C21 H23 N5 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(C1CCCN1C1=NN2C(=NC(C)=CC2=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1875 |
| logD: | 1.1635 |
| logSw: | -2.3951 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.431 |
| InChI Key: | RIRNTDNOFLBKTO-UHFFFAOYSA-N |