8-(4-chlorophenyl)-6-oxo-3-(1-phenylethyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(4-chlorophenyl)-6-oxo-3-(1-phenylethyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(4-chlorophenyl)-6-oxo-3-(1-phenylethyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | D006-0201 |
| Compound Name: | 8-(4-chlorophenyl)-6-oxo-3-(1-phenylethyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 409.94 |
| Molecular Formula: | C22 H20 Cl N3 O S |
| Smiles: | CC(c1ccccc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)[Cl])SC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7633 |
| logD: | 4.7633 |
| logSw: | -5.1235 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.727 |
| InChI Key: | QJCMPYCCQIBKQI-UHFFFAOYSA-N |