2'-butyl-1'-oxo-N-(1,3,4-thiadiazol-2-yl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-butyl-1'-oxo-N-(1,3,4-thiadiazol-2-yl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
2'-butyl-1'-oxo-N-(1,3,4-thiadiazol-2-yl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J105-0001 |
| Compound Name: | 2'-butyl-1'-oxo-N-(1,3,4-thiadiazol-2-yl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C20 H24 N4 O2 S |
| Smiles: | CCCCN1C(c2ccccc2C(C(Nc2nncs2)=O)C12CCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5797 |
| logD: | 3.4529 |
| logSw: | -3.7171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.913 |
| InChI Key: | CNLCXWQVNAVRBI-MRXNPFEDSA-N |