N-cyclopentyl-1-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-1-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0829 |
| Compound Name: | N-cyclopentyl-1-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | Cc1ccc(C(CSc2nnc3N(C)C(c4ccc(cc4n23)C(NC2CCCC2)=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9117 |
| logD: | 3.9117 |
| logSw: | -4.0187 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.101 |
| InChI Key: | SGKAGLUWDYPMTK-UHFFFAOYSA-N |