4-benzyl-N-cyclopentyl-2-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-benzyl-N-cyclopentyl-2-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-benzyl-N-cyclopentyl-2-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0532 |
| Compound Name: | 4-benzyl-N-cyclopentyl-2-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | CN1C(N2C(=N1)N(Cc1ccccc1)C(c1ccc(cc12)C(NC1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.948 |
| logD: | 2.948 |
| logSw: | -3.6361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.391 |
| InChI Key: | YKMCYMPPEBSFIB-UHFFFAOYSA-N |