N-cyclohexyl-1-{[2-(2,5-dimethylphenyl)-2-oxoethyl]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-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-1-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0879 |
| Compound Name: | N-cyclohexyl-1-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C27 H29 N5 O3 S |
| Smiles: | Cc1ccc(C)c(c1)C(CSc1nnc2N(C)C(c3ccc(cc3n12)C(NC1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2397 |
| logD: | 4.2397 |
| logSw: | -4.3171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.735 |
| InChI Key: | OBAAOOIFLAWQSR-UHFFFAOYSA-N |