3-(4-bromophenyl)-8-(4-hydroxy-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-bromophenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(4-bromophenyl)-8-(4-hydroxy-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: | C499-0291 |
| Compound Name: | 3-(4-bromophenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 472.36 |
| Molecular Formula: | C21 H18 Br N3 O3 S |
| Smiles: | COc1cc(ccc1O)C1CC(N2CN(CSC2=C1C#N)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2199 |
| logD: | 4.219 |
| logSw: | -3.9403 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.953 |
| InChI Key: | RXLOYXVFQFKSAP-MRXNPFEDSA-N |