3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)propanamide
Chemical Structure Depiction of
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)propanamide
Compound characteristics
| Compound ID: | C741-0661 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)propanamide |
| Molecular Weight: | 547.06 |
| Molecular Formula: | C29 H31 Cl N6 O3 |
| Smiles: | CC(C)N(CCNC(CCc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)=O)Cc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 3.2715 |
| logD: | 2.6114 |
| logSw: | -3.9633 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.365 |
| InChI Key: | HMLGMUMTOQFGKU-UHFFFAOYSA-N |