N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
Chemical Structure Depiction of
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
Compound characteristics
| Compound ID: | C741-1133 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide |
| Molecular Weight: | 564.13 |
| Molecular Formula: | C30 H38 Cl N7 O2 |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c(CCC(NCCN3CCN(CC3)c3cc(ccc3C)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8027 |
| logD: | 3.3685 |
| logSw: | -4.2113 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.211 |
| InChI Key: | SUTNZXXQBDQPIW-UHFFFAOYSA-N |