1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0839 |
| Compound Name: | 1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 485.97 |
| Molecular Formula: | C23 H21 Cl F N5 O2 S |
| Smiles: | CN1C(c2ccc(cc2n2c1nnc2SCc1c(cccc1[Cl])F)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0163 |
| logD: | 4.0163 |
| logSw: | -4.4784 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.854 |
| InChI Key: | HNHWDCUHGIEEDI-UHFFFAOYSA-N |