4-benzyl-2-[(3-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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: | F471-0491 |
| Compound Name: | 4-benzyl-2-[(3-chlorophenyl)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: | 501.97 |
| Molecular Formula: | C27 H24 Cl N5 O3 |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccccc3)C3=NN(Cc4cccc(c4)[Cl])C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4554 |
| logD: | 4.4554 |
| logSw: | -4.6156 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.594 |
| InChI Key: | DVNAAXZVIONFRR-UHFFFAOYSA-N |