8-chloro-1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
8-chloro-1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
8-chloro-1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0352 |
| Compound Name: | 8-chloro-1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-propyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 410.92 |
| Molecular Formula: | C21 H19 Cl N4 O S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCc1ccc(C=C)cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8019 |
| logD: | 4.8019 |
| logSw: | -4.9178 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.562 |
| InChI Key: | KAPGKDQOTVUKKH-UHFFFAOYSA-N |