N-cyclohexyl-4-methyl-1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-4-methyl-1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-4-methyl-1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0881 |
| Compound Name: | N-cyclohexyl-4-methyl-1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | Cc1ccccc1CSc1nnc2N(C)C(c3ccc(cc3n12)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5226 |
| logD: | 4.5226 |
| logSw: | -4.2502 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.488 |
| InChI Key: | CWJRYJXUKFMFPQ-UHFFFAOYSA-N |