1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0114 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 440.57 |
| Molecular Formula: | C26 H24 N4 O S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c2nnc3SCc2cc(C)ccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1479 |
| logD: | 6.1479 |
| logSw: | -5.4643 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | DDVQMRYHBZBUID-UHFFFAOYSA-N |