N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1014 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C18 H19 N5 O2 S2 |
| Smiles: | CSc1ccc(CNC(C2=CN=C3N(C2=O)N=C(N2CCCC2)S3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.488 |
| logD: | 2.3641 |
| logSw: | -2.7353 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.606 |
| InChI Key: | VDAVLADHKOZKJC-UHFFFAOYSA-N |