3-(4-butylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(4-butylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-butylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-1095 |
| Compound Name: | 3-(4-butylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCCCc1ccc(cc1)N1CN2C(=C(C#N)C(CC2=O)c2cc(c(cc2OC)OC)OC)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5968 |
| logD: | 5.5968 |
| logSw: | -5.2571 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.666 |
| InChI Key: | XOSPNDDFTWFTKV-HXUWFJFHSA-N |