3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{cyclopentyl[(furan-2-yl)methyl]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-{cyclopentyl[(furan-2-yl)methyl]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-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)propanamide
Compound characteristics
| Compound ID: | C741-0658 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)propanamide |
| Molecular Weight: | 573.1 |
| Molecular Formula: | C31 H33 Cl N6 O3 |
| Smiles: | C1CCC(C1)N(CCNC(CCc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)=O)Cc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 3.6285 |
| logD: | 3.0814 |
| logSw: | -4.1969 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.961 |
| InChI Key: | VMKPBWOBSIFKLP-UHFFFAOYSA-N |