N-cyclohexyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0395 |
| Compound Name: | N-cyclohexyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 519.67 |
| Molecular Formula: | C28 H33 N5 O3 S |
| Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCc1cccc(c1)OC)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3337 |
| logD: | 5.3337 |
| logSw: | -5.1193 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.266 |
| InChI Key: | AUIOATIKZZKORF-UHFFFAOYSA-N |