2-{4-[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonyl]phenoxy}-6-chlorobenzonitrile
Chemical Structure Depiction of
2-{4-[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonyl]phenoxy}-6-chlorobenzonitrile
2-{4-[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonyl]phenoxy}-6-chlorobenzonitrile
Compound characteristics
| Compound ID: | V015-3378 |
| Compound Name: | 2-{4-[4-(6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-sulfonyl]phenoxy}-6-chlorobenzonitrile |
| Molecular Weight: | 600.1 |
| Molecular Formula: | C30 H26 Cl N7 O3 S |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccccc2)c(N2CCN(CC2)S(c2ccc(cc2)Oc2cccc(c2C#N)[Cl])(=O)=O)n2c(ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1606 |
| logD: | 5.125 |
| logSw: | -5.8261 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.713 |
| InChI Key: | HWJZOHAJQAKWFK-UHFFFAOYSA-N |