6-benzyl-5-methyl-7-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-benzyl-5-methyl-7-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
6-benzyl-5-methyl-7-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V011-2609 |
| Compound Name: | 6-benzyl-5-methyl-7-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C23 H23 N7 O4 S |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccccc2)c(N2CCN(CC2)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)n2c(ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5898 |
| logD: | 3.5543 |
| logSw: | -3.8382 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.204 |
| InChI Key: | SULMGWGPQCQISS-UHFFFAOYSA-N |