2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K280-0502 |
| Compound Name: | 2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 499.64 |
| Molecular Formula: | C27 H29 N7 O S |
| Smiles: | CCC(C(NCc1ccc(C)cc1)=O)Sc1nc2ccccc2c2nc(CCn3cncc3C)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1918 |
| logD: | 2.675 |
| logSw: | -3.8572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.112 |
| InChI Key: | QCEZXQMYHYPSCS-QHCPKHFHSA-N |