2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(1H-imidazol-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(1H-imidazol-1-yl)propyl]acetamide
2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(1H-imidazol-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | 3325-0029 |
| Compound Name: | 2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(1H-imidazol-1-yl)propyl]acetamide |
| Molecular Weight: | 579.68 |
| Molecular Formula: | C31 H29 N7 O3 S |
| Smiles: | C(Cc1nnc(n1c1ccccc1)SCC(NCCCn1ccnc1)=O)CN1C(c2cccc3cccc(C1=O)c23)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3459 |
| logD: | 2.104 |
| logSw: | -2.923 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.668 |
| InChI Key: | ARZKLFNIVSNSFZ-UHFFFAOYSA-N |