N-(3-chlorophenyl)-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-(3-chlorophenyl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-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: | M142-0004 |
| Compound Name: | N-(3-chlorophenyl)-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: | 445.95 |
| Molecular Formula: | C18 H16 Cl N7 O S2 |
| Smiles: | C1CCN(C1)c1nc2c(c3nnc(n3cn2)SCC(Nc2cccc(c2)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9599 |
| logD: | 3.9598 |
| logSw: | -4.119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.894 |
| InChI Key: | FHVYUSQZPMPJFT-UHFFFAOYSA-N |