2'-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | Y044-3192 |
| Compound Name: | 2'-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | CCCCN1C(c2ccccc2C(C(Nc2nnc(C)s2)=O)C12CCCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4047 |
| logD: | 3.7021 |
| logSw: | -4.1178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.322 |
| InChI Key: | DXCGYTFEQXSGCF-GOSISDBHSA-N |