N-(4-bromo-2-fluorophenyl)-2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
N-(4-bromo-2-fluorophenyl)-2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M142-0171 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 482.35 |
| Molecular Formula: | C16 H13 Br F N7 O S2 |
| Smiles: | CN(C)c1nc2c(c3nnc(n3cn2)SCC(Nc2ccc(cc2F)[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0536 |
| logD: | 3.0458 |
| logSw: | -3.3352 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.182 |
| InChI Key: | UDQYIEMBOLIDSD-UHFFFAOYSA-N |