N-(2-methoxyethyl)-1,3-dioxo-2-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-1,3-dioxo-2-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide
N-(2-methoxyethyl)-1,3-dioxo-2-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
| Compound ID: | IB09-2800 |
| Compound Name: | N-(2-methoxyethyl)-1,3-dioxo-2-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C21 H19 N5 O4 |
| Smiles: | COCCNC(c1ccc2C(N(C(c2c1)=O)c1ccc(Cn2cncn2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.82 |
| logD: | 0.82 |
| logSw: | -1.89 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 151.54 |
| InChI Key: | AIAYTGZIWQRMIS-UHFFFAOYSA-N |