4-(2-methylpropyl)-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Chemical Structure Depiction of
4-(2-methylpropyl)-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
4-(2-methylpropyl)-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Compound characteristics
| Compound ID: | C200-7327 |
| Compound Name: | 4-(2-methylpropyl)-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one |
| Molecular Weight: | 274.34 |
| Molecular Formula: | C13 H14 N4 O S |
| Smiles: | CC(C)CN1C2=NNC(N2c2ccccc2C1=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.5379 |
| logD: | -4.4508 |
| logSw: | -2.9821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.646 |
| InChI Key: | XWJBYMGHRPKREH-UHFFFAOYSA-N |