6-(3,4-dimethoxyphenyl)-7-[4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-7-[4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
6-(3,4-dimethoxyphenyl)-7-[4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V002-0276 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-7-[4-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 513.57 |
| Molecular Formula: | C23 H27 N7 O5 S |
| Salt: | not_available |
| Smiles: | Cc1c(c(C)on1)S(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.682 |
| logD: | 1.6744 |
| logSw: | -2.4676 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 103.397 |
| InChI Key: | GBBSGXVYSFHNTP-UHFFFAOYSA-N |