N-[(4-chlorophenyl)methyl]-3-[4-(2-methylpropyl)-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-chlorophenyl)methyl]-3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]propanamide
N-[(4-chlorophenyl)methyl]-3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]propanamide
Compound characteristics
| Compound ID: | F084-0270 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]propanamide |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C21 H22 Cl N5 O2 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCC(NCc3ccc(cc3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3461 |
| logD: | 3.3461 |
| logSw: | -3.7675 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.468 |
| InChI Key: | VRRARBLXHVNIIA-UHFFFAOYSA-N |