N-{3-[butyl(methyl)amino]propyl}-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[butyl(methyl)amino]propyl}-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-{3-[butyl(methyl)amino]propyl}-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-3071 |
| Compound Name: | N-{3-[butyl(methyl)amino]propyl}-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C21 H31 N5 O2 S |
| Smiles: | CCCCN(C)CCCNC(CN1C(c2cc3c(cc(C)s3)n2C(CC)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7578 |
| logD: | 0.1608 |
| logSw: | -2.951 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.143 |
| InChI Key: | DQPJYWFLGCSQSW-UHFFFAOYSA-N |