N-[(4-bromophenyl)methyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
N-[(4-bromophenyl)methyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
Compound characteristics
| Compound ID: | C200-7855 |
| Compound Name: | N-[(4-bromophenyl)methyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide |
| Molecular Weight: | 488.4 |
| Molecular Formula: | C21 H22 Br N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(NCc3ccc(cc3)[Br])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6076 |
| logD: | 3.6076 |
| logSw: | -3.6867 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.446 |
| InChI Key: | WYPAIZURXLPIMQ-UHFFFAOYSA-N |