N-(2-chloro-4-methylphenyl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
N-(2-chloro-4-methylphenyl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M142-0057 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 459.98 |
| Molecular Formula: | C19 H18 Cl N7 O S2 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CSc1nnc2c3c(ncn12)nc(N1CCCC1)s3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9302 |
| logD: | 3.93 |
| logSw: | -4.0466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.196 |
| InChI Key: | BLKDEIHHXGMWTE-UHFFFAOYSA-N |