2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-cyclopentyl-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-chloro-4-methylanilino)-2-oxoethyl]-N-cyclopentyl-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-cyclopentyl-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0754 |
| Compound Name: | 2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-cyclopentyl-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: | Cc1ccc(c(c1)[Cl])NC(CN1C(N2C(=N1)N(C)C(c1ccc(cc12)C(NC1CCCC1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9087 |
| logD: | 2.9086 |
| logSw: | -3.5727 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.929 |
| InChI Key: | YMEGGJPDPAIGLZ-UHFFFAOYSA-N |