N-[3-(butylsulfanyl)propyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
N-[3-(butylsulfanyl)propyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Compound characteristics
| Compound ID: | E016-1684 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C22 H29 N5 O3 S |
| Smiles: | CCCCSCCCNC(CN1C(c2cc(c3ccc(cc3)OC)nn2C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1389 |
| logD: | 3.1389 |
| logSw: | -3.3581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.894 |
| InChI Key: | OQWRXJLBIZNDJO-UHFFFAOYSA-N |