2'-(2-methoxyethyl)-N-[5-(methoxymethyl)-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'-(2-methoxyethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-(2-methoxyethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J104-0074 |
| Compound Name: | 2'-(2-methoxyethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | COCCN1C(c2ccccc2C(C(Nc2nnc(COC)s2)=O)C12CCCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9027 |
| logD: | 2.2001 |
| logSw: | -3.55 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.777 |
| InChI Key: | JMXTXUOQYDYQFO-GOSISDBHSA-N |