1-{[(4-chlorophenyl)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-{[(4-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[(4-chlorophenyl)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: | F472-0834 |
| Compound Name: | 1-{[(4-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 467.98 |
| Molecular Formula: | C23 H22 Cl N5 O2 S |
| Smiles: | CN1C(c2ccc(cc2n2c1nnc2SCc1ccc(cc1)[Cl])C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5843 |
| logD: | 3.5843 |
| logSw: | -4.1907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.854 |
| InChI Key: | JKACGFIHNBJILA-UHFFFAOYSA-N |