methyl {[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}acetate
methyl {[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8011-9472 |
| Compound Name: | methyl {[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}acetate |
| Molecular Weight: | 452.6 |
| Molecular Formula: | C23 H24 N4 O2 S2 |
| Smiles: | COC(CSC1=C(C#N)C2(CCCCC2)C(C(=N)N1)c1nc(cs1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1132 |
| logD: | 3.154 |
| logSw: | -4.1619 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.393 |
| InChI Key: | UCXXGNUFACMINY-LJQANCHMSA-N |