N-[(2-chlorophenyl)methyl]-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-[(2-chlorophenyl)methyl]-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F367-0084 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 469.99 |
| Molecular Formula: | C23 H24 Cl N5 O2 S |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c1nnc2SCC(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3348 |
| logD: | 4.3348 |
| logSw: | -4.3783 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.033 |
| InChI Key: | NWMFHTGDPUOUIZ-UHFFFAOYSA-N |