4-benzyl-2-[(3-methoxyphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-benzyl-2-[(3-methoxyphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-benzyl-2-[(3-methoxyphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0502 |
| Compound Name: | 4-benzyl-2-[(3-methoxyphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C28 H27 N5 O4 |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccccc3)C3=NN(Cc4cccc(c4)OC)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8553 |
| logD: | 3.8553 |
| logSw: | -4.0869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.138 |
| InChI Key: | ABABOUKFFAJLQX-UHFFFAOYSA-N |