8-(4-methoxyphenyl)-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-(4-methoxyphenyl)-3-(3-methylbutyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(4-methoxyphenyl)-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: | D006-0247 |
| Compound Name: | 8-(4-methoxyphenyl)-3-(3-methylbutyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 371.5 |
| Molecular Formula: | C20 H25 N3 O2 S |
| Smiles: | CC(C)CCN1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)OC)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8205 |
| logD: | 3.8202 |
| logSw: | -3.9409 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.848 |
| InChI Key: | HHAFSVPXVNFCTE-QGZVFWFLSA-N |