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 |