3-[(4-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-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: | D006-0372 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-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: | COc1ccc(CN2CN3C(=C(C#N)C(CC3=O)c3cccs3)SC2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.385 |
| logD: | 3.3849 |
| logSw: | -3.5743 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.617 |
| InChI Key: | PRDSIIBUNQDYDC-INIZCTEOSA-N |