ethyl 3-{5-methyl-7-[4-(naphthalene-2-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{5-methyl-7-[4-(naphthalene-2-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{5-methyl-7-[4-(naphthalene-2-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | V001-6949 |
| Compound Name: | ethyl 3-{5-methyl-7-[4-(naphthalene-2-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C25 H28 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)S(c1ccc2ccccc2c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.661 |
| logD: | 3.6317 |
| logSw: | -3.8436 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.981 |
| InChI Key: | UNAPSAIDYXMTGW-UHFFFAOYSA-N |