3-cyclohexyl-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-cyclohexyl-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-cyclohexyl-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0691 |
| Compound Name: | 3-cyclohexyl-8-(4-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | C1CCC(CC1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)[N+]([O-])=O)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8881 |
| logD: | 3.8877 |
| logSw: | -3.9696 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.989 |
| InChI Key: | OFGXRONMUOLFNQ-QGZVFWFLSA-N |