2'-(2-methylpropyl)-1'-oxo-N-(1,3,4-thiadiazol-2-yl)-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-(2-methylpropyl)-1'-oxo-N-(1,3,4-thiadiazol-2-yl)-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-(2-methylpropyl)-1'-oxo-N-(1,3,4-thiadiazol-2-yl)-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J104-0053 |
| Compound Name: | 2'-(2-methylpropyl)-1'-oxo-N-(1,3,4-thiadiazol-2-yl)-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | CC(C)CN1C(c2ccccc2C(C(Nc2nncs2)=O)C12CCCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0591 |
| logD: | 3.9323 |
| logSw: | -4.1287 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.568 |
| InChI Key: | NGCQPRRRGCJECW-QGZVFWFLSA-N |