3-{1-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-{1-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
3-{1-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0038 |
| Compound Name: | 3-{1-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C22 H24 N6 O4 S |
| Smiles: | CC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(NCc1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6775 |
| logD: | 1.6775 |
| logSw: | -2.5623 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.228 |
| InChI Key: | LFCLJTLKQJHCGR-UHFFFAOYSA-N |