N-(butan-2-yl)-3-{5-oxo-1-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-{5-oxo-1-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
N-(butan-2-yl)-3-{5-oxo-1-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Compound characteristics
| Compound ID: | L942-0099 |
| Compound Name: | N-(butan-2-yl)-3-{5-oxo-1-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide |
| Molecular Weight: | 498.63 |
| Molecular Formula: | C23 H26 N6 O3 S2 |
| Smiles: | CCC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(NCc1cccs1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2895 |
| logD: | 2.2895 |
| logSw: | -2.8088 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.965 |
| InChI Key: | YLZLFAHPXJQBMH-HNNXBMFYSA-N |