1-{[(2-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[(2-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[(2-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0126 |
| Compound Name: | 1-{[(2-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 496.03 |
| Molecular Formula: | C25 H26 Cl N5 O2 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCc1ccccc1[Cl])C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0298 |
| logD: | 5.0298 |
| logSw: | -5.0953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.067 |
| InChI Key: | LBIAHUOBCPLUQQ-UHFFFAOYSA-N |