N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5290 |
| Compound Name: | N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | CC(C)CCN1C=C(C(Nc2nnc(COC)s2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7645 |
| logD: | 0.6962 |
| logSw: | -3.5553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.005 |
| InChI Key: | GABQLZMORNPNMG-UHFFFAOYSA-N |