N-(butan-2-yl)-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-(butan-2-yl)-1,3-dioxo-2-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide
N-(butan-2-yl)-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: | Y043-0289 |
| Compound Name: | N-(butan-2-yl)-1,3-dioxo-2-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C22 H21 N5 O3 |
| Smiles: | CCC(C)NC(c1ccc2C(N(C(c2c1)=O)c1ccc(Cn2cncn2)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6076 |
| logD: | 1.6076 |
| logSw: | -2.46 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.983 |
| InChI Key: | POWVXNRBJWQVQN-AWEZNQCLSA-N |