N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-1328 |
| Compound Name: | N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 489.51 |
| Molecular Formula: | C23 H19 N7 O4 S |
| Smiles: | CN1C(c2ccc(cc2C1=O)NC(CCc1nc(CSc2nnc(c3ccccc3)[nH]2)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5096 |
| logD: | 1.3089 |
| logSw: | -3.3598 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.247 |
| InChI Key: | QKHHAFMQUYBBFN-UHFFFAOYSA-N |