4-[(4-methylphenyl)methyl]-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
4-[(4-methylphenyl)methyl]-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Compound characteristics
| Compound ID: | C200-7283 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one |
| Molecular Weight: | 322.39 |
| Molecular Formula: | C17 H14 N4 O S |
| Smiles: | Cc1ccc(CN2C3=NNC(N3c3ccccc3C2=O)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.322 |
| logD: | -3.0237 |
| logSw: | -3.8486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.374 |
| InChI Key: | JGYZIFQWYDTQFL-UHFFFAOYSA-N |