6-oxo-3-(2-phenylethyl)-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
6-oxo-3-(2-phenylethyl)-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
6-oxo-3-(2-phenylethyl)-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: | D006-0394 |
| Compound Name: | 6-oxo-3-(2-phenylethyl)-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C20 H19 N3 O S2 |
| Smiles: | C(CN1CN2C(=C(C#N)C(CC2=O)c2cccs2)SC1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6259 |
| logD: | 3.6258 |
| logSw: | -3.7638 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.051 |
| InChI Key: | CDDDDDZHGVPCJH-INIZCTEOSA-N |