N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5268 |
| Compound Name: | N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | CC(C)N1C=C(C(Nc2nnc(COC)s2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.7666 |
| logD: | -0.3017 |
| logSw: | -2.6655 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.913 |
| InChI Key: | YJKYJMYMUHNQJP-UHFFFAOYSA-N |