4-benzyl-1-{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-benzyl-1-{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0072 |
| Compound Name: | 4-benzyl-1-{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 432.93 |
| Molecular Formula: | C23 H17 Cl N4 O S |
| Smiles: | C(c1ccccc1)N1C(c2ccccc2n2c1nnc2SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8141 |
| logD: | 4.8141 |
| logSw: | -5.0608 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | JBUWYUSINMMSEA-UHFFFAOYSA-N |