N-cyclopentyl-3-[1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Chemical Structure Depiction of
N-cyclopentyl-3-[1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
N-cyclopentyl-3-[1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Compound characteristics
| Compound ID: | L942-0102 |
| Compound Name: | N-cyclopentyl-3-[1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | Cc1ccccc1CSc1nnc2N(CCC(NC3CCCC3)=O)C(c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3288 |
| logD: | 4.3288 |
| logSw: | -4.1861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.853 |
| InChI Key: | SMPQJTCMNFHZBX-UHFFFAOYSA-N |