8-(3,4-dimethoxyphenyl)-3-(3-methylbutyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
8-(3,4-dimethoxyphenyl)-3-(3-methylbutyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(3,4-dimethoxyphenyl)-3-(3-methylbutyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | D006-0074 |
| Compound Name: | 8-(3,4-dimethoxyphenyl)-3-(3-methylbutyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | CC(C)CCN1CN2C(=C(C#N)C(CC2=O)c2ccc(c(c2)OC)OC)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5375 |
| logD: | 3.5371 |
| logSw: | -3.7354 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.565 |
| InChI Key: | RHNBNBOHYYSOCX-MRXNPFEDSA-N |