1-(benzylsulfanyl)-N-(butan-2-yl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-(benzylsulfanyl)-N-(butan-2-yl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-(benzylsulfanyl)-N-(butan-2-yl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0104 |
| Compound Name: | 1-(benzylsulfanyl)-N-(butan-2-yl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCc1ccccc1)C(NC(C)CC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4959 |
| logD: | 3.4959 |
| logSw: | -3.7933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.688 |
| InChI Key: | DKMRRYDTKBVBDU-INIZCTEOSA-N |