8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0947 |
| Compound Name: | 8-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 534.86 |
| Molecular Formula: | C23 H21 Br Cl N3 O3 S |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1CC(N2CN(CSC2=C1C#N)c1ccc(C)c(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8646 |
| logD: | 5.8569 |
| logSw: | -5.6255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.464 |
| InChI Key: | BUEZNSSSYXVMSK-INIZCTEOSA-N |