4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | G595-0719 |
| Compound Name: | 4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Smiles: | CCOc1cc(CNC(C2=CN=C3N(C4CCCCCC=4S3)C2=O)=O)cc(c1OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.1181 |
| logD: | 3.1176 |
| logSw: | -3.2772 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.085 |
| InChI Key: | OMNIGIMTIZVPHQ-UHFFFAOYSA-N |