N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Chemical Structure Depiction of
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Compound characteristics
| Compound ID: | C741-0493 |
| Compound Name: | N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
| Molecular Weight: | 552.68 |
| Molecular Formula: | C32 H36 N6 O3 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(NCCN(Cc4ccco4)C4CCCC4)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4572 |
| logD: | 2.91 |
| logSw: | -3.8318 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.961 |
| InChI Key: | DYRBNYGUGXLDGS-UHFFFAOYSA-N |