N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0955 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C18 H19 N5 O2 S2 |
| Smiles: | CSc1ccc(CNC(C2=CC(N=C3N2N=C(N2CCCC2)S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6752 |
| logD: | 2.3238 |
| logSw: | -3.0707 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.793 |
| InChI Key: | KTWGBFVZDOBKCL-UHFFFAOYSA-N |