7-[4-(azepan-1-yl)-4-oxobutyl]-5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-[4-(azepan-1-yl)-4-oxobutyl]-5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-[4-(azepan-1-yl)-4-oxobutyl]-5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C784-3155 |
| Compound Name: | 7-[4-(azepan-1-yl)-4-oxobutyl]-5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CCC1=NN(CCCC(N2CCCCCC2)=O)C(c2cc3c(cc(C)o3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6297 |
| logD: | 2.614 |
| logSw: | -2.6222 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.155 |
| InChI Key: | WQRYVTZPBXMMDA-UHFFFAOYSA-N |