3-(7-methyl-5-oxo-1-sulfanylidene-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-(7-methyl-5-oxo-1-sulfanylidene-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)-N-(propan-2-yl)propanamide
3-(7-methyl-5-oxo-1-sulfanylidene-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | C200-9440 |
| Compound Name: | 3-(7-methyl-5-oxo-1-sulfanylidene-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)-N-(propan-2-yl)propanamide |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C16 H19 N5 O2 S |
| Smiles: | CC(C)NC(CCN1C2=NNC(N2c2ccc(C)cc2C1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8826 |
| logD: | -5.3742 |
| logSw: | -2.7821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.07 |
| InChI Key: | OPXAZSSKPXNTRH-UHFFFAOYSA-N |