4-imino-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(methylsulfanyl)-3-azaspiro[5.5]undec-1-ene-1-carbonitrile
Chemical Structure Depiction of
4-imino-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(methylsulfanyl)-3-azaspiro[5.5]undec-1-ene-1-carbonitrile
4-imino-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(methylsulfanyl)-3-azaspiro[5.5]undec-1-ene-1-carbonitrile
Compound characteristics
| Compound ID: | 8011-9469 |
| Compound Name: | 4-imino-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(methylsulfanyl)-3-azaspiro[5.5]undec-1-ene-1-carbonitrile |
| Molecular Weight: | 408.59 |
| Molecular Formula: | C22 H24 N4 S2 |
| Smiles: | Cc1ccc(cc1)c1csc(C2C(=N)NC(=C(C#N)C23CCCCC3)SC)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1373 |
| logD: | 3.567 |
| logSw: | -4.9296 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.814 |
| InChI Key: | DWCPWXFYGZPYPS-GOSISDBHSA-N |