2'-(2-methoxyethyl)-1'-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-(2-methoxyethyl)-1'-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-(2-methoxyethyl)-1'-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J104-0069 |
| Compound Name: | 2'-(2-methoxyethyl)-1'-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C23 H30 N4 O3 S |
| Smiles: | CC(C)c1nnc(NC(C2c3ccccc3C(N(CCOC)C23CCCCC3)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1139 |
| logD: | 3.444 |
| logSw: | -4.1421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.858 |
| InChI Key: | WZZZNSZKHZEKRM-GOSISDBHSA-N |