N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-{4-[(4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Compound characteristics
| Compound ID: | C741-0555 |
| Compound Name: | N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
| Molecular Weight: | 556.64 |
| Molecular Formula: | C31 H33 F N6 O3 |
| Smiles: | C1CCC(C1)N(CCNC(CCc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)=O)Cc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 3.0629 |
| logD: | 2.5157 |
| logSw: | -3.5816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.961 |
| InChI Key: | LCUYQKPTMJARPT-UHFFFAOYSA-N |