3-(4-butylphenyl)-8-(4-ethoxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(4-butylphenyl)-8-(4-ethoxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-butylphenyl)-8-(4-ethoxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-1031 |
| Compound Name: | 3-(4-butylphenyl)-8-(4-ethoxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C27 H31 N3 O3 S |
| Smiles: | CCCCc1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2ccc(c(c2)OC)OCC)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1176 |
| logD: | 6.1176 |
| logSw: | -5.3865 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.615 |
| InChI Key: | QMVRJHADAMUJKF-JOCHJYFZSA-N |