7-[4-(chloromethanesulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-[4-(chloromethanesulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(chloromethanesulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V003-0618 |
| Compound Name: | 7-[4-(chloromethanesulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 466.94 |
| Molecular Formula: | C19 H23 Cl N6 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1cnc2ncnn2c1N1CCCN(CC1)S(C[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6483 |
| logD: | 1.6408 |
| logSw: | -2.4794 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.525 |
| InChI Key: | RTXCHMOSRCDOHK-UHFFFAOYSA-N |