N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | G595-0949 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | CSc1ccc(CNC(C2=CN=C3N(C4CCCCCC=4S3)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.097 |
| logD: | 3.0526 |
| logSw: | -3.374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.368 |
| InChI Key: | UTCFKMSSKLMKBT-UHFFFAOYSA-N |