7-(azepane-1-sulfonyl)-4-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Chemical Structure Depiction of
7-(azepane-1-sulfonyl)-4-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
7-(azepane-1-sulfonyl)-4-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Compound characteristics
| Compound ID: | P666-1108 |
| Compound Name: | 7-(azepane-1-sulfonyl)-4-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one |
| Molecular Weight: | 310.37 |
| Molecular Formula: | C13 H18 N4 O3 S |
| Smiles: | CC1=NNC(c2cc(cn12)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2124 |
| logD: | 1.2103 |
| logSw: | -2.2633 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.396 |
| InChI Key: | UZDKGTPRAFUDQM-UHFFFAOYSA-N |