N-[(3-methoxyphenyl)methyl]-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-[(3-methoxyphenyl)methyl]-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F367-0073 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CC(C)CN1C(c2ccccc2n2c1nnc2SCC(NCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3128 |
| logD: | 3.3128 |
| logSw: | -3.8644 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.599 |
| InChI Key: | AIHGQKPNSZGIAN-UHFFFAOYSA-N |