8-(4-chlorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-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-chlorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
8-(4-chlorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | D006-0226 |
| Compound Name: | 8-(4-chlorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 429.99 |
| Molecular Formula: | C21 H20 Cl N3 O S2 |
| Smiles: | Cc1ccsc1CCN1CN2C(=C(C#N)C(CC2=O)c2ccc(cc2)[Cl])SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8293 |
| logD: | 4.8292 |
| logSw: | -4.9698 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.051 |
| InChI Key: | LTXGRPYBRAXIDU-KRWDZBQOSA-N |