N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | G595-1278 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | CSc1ccc(CNC(C2=CN=C3N(C4CCCCCCC=4S3)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5929 |
| logD: | 3.5485 |
| logSw: | -3.7873 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.368 |
| InChI Key: | GJHSDJAOAYEKMS-UHFFFAOYSA-N |