N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanamide
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanamide
Compound characteristics
| Compound ID: | C741-1207 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanamide |
| Molecular Weight: | 587.77 |
| Molecular Formula: | C33 H45 N7 O3 |
| Smiles: | CC(C)OCCCN1C(c2ccccc2n2c(CCC(NCCCN3CCN(CC3)c3cc(C)ccc3C)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8908 |
| logD: | 1.6901 |
| logSw: | -3.4436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.412 |
| InChI Key: | NBCFIRSJDAUZSW-UHFFFAOYSA-N |