3-(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-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: | C499-0777 |
| Compound Name: | 3-(4-bromophenyl)-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: | 516.41 |
| Molecular Formula: | C23 H22 Br N3 O4 S |
| Smiles: | COc1cc(c(cc1C1CC(N2CN(CSC2=C1C#N)c1ccc(cc1)[Br])=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4615 |
| logD: | 4.4615 |
| logSw: | -4.4235 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.666 |
| InChI Key: | AYRBNVUNSPYATG-MRXNPFEDSA-N |