3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)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-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)propanamide
Compound characteristics
| Compound ID: | C741-0656 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)propanamide |
| Molecular Weight: | 587.12 |
| Molecular Formula: | C32 H35 Cl N6 O3 |
| Smiles: | C1CCC(C1)N(CCCNC(CCc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)=O)Cc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 3.8471 |
| logD: | 2.4879 |
| logSw: | -4.4988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.961 |
| InChI Key: | VBVWAAWXHZBCNQ-UHFFFAOYSA-N |