1-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0123 |
| Compound Name: | 1-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 446.96 |
| Molecular Formula: | C24 H19 Cl N4 O S |
| Smiles: | C(CN1C(c2ccccc2n2c1nnc2SCc1ccc(cc1)[Cl])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9132 |
| logD: | 4.9132 |
| logSw: | -5.0946 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.29 |
| InChI Key: | BXPRMORNHFEXEA-UHFFFAOYSA-N |