2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0773 |
| Compound Name: | 2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 508.96 |
| Molecular Formula: | C25 H25 Cl N6 O4 |
| Smiles: | CN1C2=NN(CC(Nc3ccccc3[Cl])=O)C(N2c2cc(ccc2C1=O)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.691 |
| logD: | 2.6909 |
| logSw: | -3.617 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.563 |
| InChI Key: | BMHLQLKJFNGZJR-UHFFFAOYSA-N |