1-{[(3-chlorophenyl)methyl]sulfanyl}-N-cyclohexyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[(3-chlorophenyl)methyl]sulfanyl}-N-cyclohexyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[(3-chlorophenyl)methyl]sulfanyl}-N-cyclohexyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0884 |
| Compound Name: | 1-{[(3-chlorophenyl)methyl]sulfanyl}-N-cyclohexyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 482 |
| Molecular Formula: | C24 H24 Cl N5 O2 S |
| Smiles: | CN1C(c2ccc(cc2n2c1nnc2SCc1cccc(c1)[Cl])C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3779 |
| logD: | 4.3779 |
| logSw: | -4.5484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.488 |
| InChI Key: | PEKNVCBIBFDDLD-UHFFFAOYSA-N |