N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-9238 |
| Compound Name: | N-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 500.53 |
| Molecular Formula: | C25 H20 N6 O4 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1cccc2C(NNC(c12)=O)=O)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1422 |
| logD: | 2.1401 |
| logSw: | -3.0466 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.098 |
| InChI Key: | BMLLRACANJTBSQ-UHFFFAOYSA-N |