N-cyclopentyl-2-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-2-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-2-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0917 |
| Compound Name: | N-cyclopentyl-2-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C28 H31 N5 O5 |
| Smiles: | CCOc1ccc(cc1)C(CN1C(N2C(=N1)N(C(C)C)C(c1ccc(cc12)C(NC1CCCC1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4688 |
| logD: | 3.4688 |
| logSw: | -3.9125 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.803 |
| InChI Key: | VBVVVWZNKORLDZ-UHFFFAOYSA-N |