N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-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-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-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-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-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: | C741-1203 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-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: | 594.16 |
| Molecular Formula: | C31 H40 Cl N7 O3 |
| Smiles: | CC(C)OCCCN1C(c2ccccc2n2c(CCC(NCCN3CCN(CC3)c3cc(ccc3C)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8923 |
| logD: | 2.4581 |
| logSw: | -3.6618 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.412 |
| InChI Key: | SZKUUWKEUHFCKF-UHFFFAOYSA-N |