N-cyclohexyl-2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0789 |
| Compound Name: | N-cyclohexyl-2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 506.54 |
| Molecular Formula: | C26 H27 F N6 O4 |
| Smiles: | Cc1ccc(cc1F)NC(CN1C(N2C(=N1)N(C)C(c1ccc(cc12)C(NC1CCCCC1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.29 |
| logD: | 3.2899 |
| logSw: | -3.738 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.261 |
| InChI Key: | LCQJHYWNVXRPSQ-UHFFFAOYSA-N |