1-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F367-0077 |
| Compound Name: | 1-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C25 H27 F N6 O2 S |
| Smiles: | CC(C)CN1C(c2ccccc2n2c1nnc2SCC(N1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5829 |
| logD: | 3.5829 |
| logSw: | -3.8965 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.236 |
| InChI Key: | OXLICBFSGUUBNG-UHFFFAOYSA-N |