1-(4-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}phenyl)ethan-1-one
1-(4-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | V011-2339 |
| Compound Name: | 1-(4-{4-[6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-sulfonyl}phenyl)ethan-1-one |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C25 H26 N6 O4 S |
| Salt: | not_available |
| Smiles: | CC(c1ccc(cc1)S(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.935 |
| logD: | 2.9255 |
| logSw: | -3.3691 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.469 |
| InChI Key: | GYITUVOAAIIXAI-UHFFFAOYSA-N |