2'-butyl-N-(4-methyl-1,3-thiazol-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-butyl-N-(4-methyl-1,3-thiazol-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
2'-butyl-N-(4-methyl-1,3-thiazol-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J105-0037 |
| Compound Name: | 2'-butyl-N-(4-methyl-1,3-thiazol-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | CCCCN1C(c2ccccc2C(C(Nc2nc(C)cs2)=O)C12CCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6349 |
| logD: | 4.4666 |
| logSw: | -4.2404 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.19 |
| InChI Key: | IYVKKNJQTOHCNV-GOSISDBHSA-N |