6-(4-methoxyphenyl)-7-[4-(2,3,4,5,6-pentamethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-(4-methoxyphenyl)-7-[4-(2,3,4,5,6-pentamethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
6-(4-methoxyphenyl)-7-[4-(2,3,4,5,6-pentamethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V002-9247 |
| Compound Name: | 6-(4-methoxyphenyl)-7-[4-(2,3,4,5,6-pentamethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 534.68 |
| Molecular Formula: | C28 H34 N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)c(C)c(c(C)c1C)S(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4662 |
| logD: | 5.4566 |
| logSw: | -5.3559 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.642 |
| InChI Key: | NWPBRTVOXVCPGV-UHFFFAOYSA-N |