3-(3-chloro-2-methylphenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(3-chloro-2-methylphenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(3-chloro-2-methylphenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0732 |
| Compound Name: | 3-(3-chloro-2-methylphenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C24 H24 Cl N3 O4 S |
| Smiles: | Cc1c(cccc1[Cl])N1CN2C(=C(C#N)C(CC2=O)c2cc(c(c(c2)OC)OC)OC)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7741 |
| logD: | 4.7741 |
| logSw: | -4.9487 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.452 |
| InChI Key: | VQWOKMOZDDHZOT-MRXNPFEDSA-N |