6,6-dimethyl-9-{4-[(4-methylphenyl)methoxy]phenyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6,6-dimethyl-9-{4-[(4-methylphenyl)methoxy]phenyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-9-{4-[(4-methylphenyl)methoxy]phenyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5310-2931 |
| Compound Name: | 6,6-dimethyl-9-{4-[(4-methylphenyl)methoxy]phenyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C25 H26 N4 O2 |
| Smiles: | Cc1ccc(COc2ccc(cc2)C2C3=C(CC(C)(C)CC3=O)Nc3ncnn23)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5991 |
| logD: | 4.2265 |
| logSw: | -4.606 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.785 |
| InChI Key: | TWYRXMISDOKGKQ-QHCPKHFHSA-N |