N-[(2,5-dimethoxyphenyl)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-[(2,5-dimethoxyphenyl)methyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
N-[(2,5-dimethoxyphenyl)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: | G595-0952 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | COc1ccc(c(CNC(C2=CN=C3N(C4CCCCCC=4S3)C2=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5778 |
| logD: | 2.5633 |
| logSw: | -2.9687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.542 |
| InChI Key: | ZTVWWFFFHHHOCU-UHFFFAOYSA-N |