7-[4-(5-fluoro-2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-[4-(5-fluoro-2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(5-fluoro-2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V002-0039 |
| Compound Name: | 7-[4-(5-fluoro-2-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C24 H25 F N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1S(N1CCCN(CC1)c1c(cnc2ncnn12)c1ccc(cc1)OC)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.7899 |
| logD: | 3.7803 |
| logSw: | -3.823 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.642 |
| InChI Key: | HBBAITSPHZSYQP-UHFFFAOYSA-N |