1-(benzylsulfanyl)-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-(benzylsulfanyl)-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-(benzylsulfanyl)-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0865 |
| Compound Name: | 1-(benzylsulfanyl)-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CN1C(c2ccc(cc2n2c1nnc2SCc1ccccc1)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9896 |
| logD: | 2.9896 |
| logSw: | -3.6734 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.854 |
| InChI Key: | DTKQWWCQJUIYIP-UHFFFAOYSA-N |