N-(butan-2-yl)-3-[1-({2-[(butan-2-yl)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-[(butan-2-yl)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-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Compound characteristics
| Compound ID: | L942-0088 |
| Compound Name: | N-(butan-2-yl)-3-[1-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C22 H30 N6 O3 S |
| Smiles: | CCC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(NC(C)CC)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7804 |
| logD: | 1.7804 |
| logSw: | -2.6323 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.659 |
| InChI Key: | PHULUAQYHGEDRP-UHFFFAOYSA-N |