N-cyclohexyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0899 |
| Compound Name: | N-cyclohexyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | Cc1ccc(C)c(CSc2nnc3N(C)C(c4ccc(cc4n23)C(NC2CCCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.95 |
| logD: | 4.95 |
| logSw: | -4.5323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.488 |
| InChI Key: | CFMKJJCNMBLTKA-UHFFFAOYSA-N |