3-(3,4-dimethylphenyl)-6-oxo-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-6-oxo-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
3-(3,4-dimethylphenyl)-6-oxo-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Compound characteristics
| Compound ID: | C499-0811 |
| Compound Name: | 3-(3,4-dimethylphenyl)-6-oxo-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C20 H19 N3 O S2 |
| Smiles: | Cc1ccc(cc1C)N1CN2C(=C(C#N)C(CC2=O)c2cccs2)SC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7552 |
| logD: | 4.7552 |
| logSw: | -4.5618 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.793 |
| InChI Key: | CPYYABBMKADIBH-INIZCTEOSA-N |