2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | E020-0563 |
| Compound Name: | 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 322.43 |
| Molecular Formula: | C15 H22 N4 O2 S |
| Smiles: | CCCSCCCNC(CN1C(c2cccn2C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4588 |
| logD: | 1.4588 |
| logSw: | -2.3596 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.883 |
| InChI Key: | HGKJQUDKSVWNIO-UHFFFAOYSA-N |