7-chloro-1-{[(3-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
7-chloro-1-{[(3-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
7-chloro-1-{[(3-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0417 |
| Compound Name: | 7-chloro-1-{[(3-methylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | CC(C)CN1C(c2cc(ccc2n2c1nnc2SCc1cccc(C)c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6906 |
| logD: | 5.6906 |
| logSw: | -5.747 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.583 |
| InChI Key: | YFYISHLIMQENDA-UHFFFAOYSA-N |