N-(butan-2-yl)-3-{5-oxo-1-[(2-oxo-2-{[(oxolan-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-{[(oxolan-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-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Compound characteristics
| Compound ID: | L942-0229 |
| Compound Name: | N-(butan-2-yl)-3-{5-oxo-1-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C23 H30 N6 O4 S |
| Smiles: | CCC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(NCC1CCCO1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.77 |
| logD: | 0.77 |
| logSw: | -2.3338 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.601 |
| InChI Key: | ZNZMUVIIMPJIAN-UHFFFAOYSA-N |