N-cyclopentyl-4-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-4-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-4-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0827 |
| Compound Name: | N-cyclopentyl-4-methyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C25 H25 N5 O3 S |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc2N(C)C(c3ccc(cc3n12)C(NC1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2157 |
| logD: | 3.2157 |
| logSw: | -3.7297 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.101 |
| InChI Key: | YNGXGEUWKFEGRJ-UHFFFAOYSA-N |