2-methyl-1-(4-{4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]phenyl}piperazin-1-yl)propan-1-one
Chemical Structure Depiction of
2-methyl-1-(4-{4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]phenyl}piperazin-1-yl)propan-1-one
2-methyl-1-(4-{4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]phenyl}piperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | C301-8685 |
| Compound Name: | 2-methyl-1-(4-{4-[(2-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]phenyl}piperazin-1-yl)propan-1-one |
| Molecular Weight: | 495.63 |
| Molecular Formula: | C29 H33 N7 O |
| Smiles: | CC(C)C(N1CCN(CC1)c1ccc(cc1)NC1=C2CCCCC2=Nc2nc(c3ccccc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2569 |
| logD: | 5.2557 |
| logSw: | -5.0338 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.073 |
| InChI Key: | KGAKSDHYMNTIOZ-UHFFFAOYSA-N |