3-(4-ethoxyphenyl)-6-oxo-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-6-oxo-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-ethoxyphenyl)-6-oxo-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-1092 |
| Compound Name: | 3-(4-ethoxyphenyl)-6-oxo-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C20 H19 N3 O2 S2 |
| Smiles: | CCOc1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2cccs2)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1691 |
| logD: | 4.1691 |
| logSw: | -3.9542 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.917 |
| InChI Key: | REESNFNYSUMQKO-INIZCTEOSA-N |