N-(butan-2-yl)-3-(5-oxo-1-sulfanylidene-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-(5-oxo-1-sulfanylidene-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)propanamide
N-(butan-2-yl)-3-(5-oxo-1-sulfanylidene-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)propanamide
Compound characteristics
| Compound ID: | C200-9423 |
| Compound Name: | N-(butan-2-yl)-3-(5-oxo-1-sulfanylidene-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)propanamide |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C16 H19 N5 O2 S |
| Smiles: | CCC(C)NC(CCN1C2=NNC(N2c2ccccc2C1=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6369 |
| logD: | -5.6199 |
| logSw: | -2.589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.537 |
| InChI Key: | LKEXPVMSHBWSQE-JTQLQIEISA-N |