methyl 4-[9-cyano-6-oxo-8-(thiophen-2-yl)-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Chemical Structure Depiction of
methyl 4-[9-cyano-6-oxo-8-(thiophen-2-yl)-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
methyl 4-[9-cyano-6-oxo-8-(thiophen-2-yl)-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | D006-0397 |
| Compound Name: | methyl 4-[9-cyano-6-oxo-8-(thiophen-2-yl)-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C20 H17 N3 O3 S2 |
| Smiles: | COC(c1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2cccs2)SC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8909 |
| logD: | 3.8909 |
| logSw: | -4.0575 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.967 |
| InChI Key: | JLNOZCATNXKKNC-HNNXBMFYSA-N |