N-(butan-2-yl)-3-{1-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-{1-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
N-(butan-2-yl)-3-{1-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Compound characteristics
| Compound ID: | L942-0086 |
| Compound Name: | N-(butan-2-yl)-3-{1-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C23 H26 N6 O4 S |
| Smiles: | CCC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(NCc1ccco1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0651 |
| logD: | 2.0651 |
| logSw: | -2.7801 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.695 |
| InChI Key: | SYKMANMXVXVPJI-HNNXBMFYSA-N |