2-[(3-chlorophenyl)methyl]-N,4-bis(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[(3-chlorophenyl)methyl]-N,4-bis(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[(3-chlorophenyl)methyl]-N,4-bis(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0309 |
| Compound Name: | 2-[(3-chlorophenyl)methyl]-N,4-bis(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C25 H28 Cl N5 O3 |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC(C)C)C3=NN(Cc4cccc(c4)[Cl])C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5259 |
| logD: | 4.5259 |
| logSw: | -4.6161 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.892 |
| InChI Key: | JEEDOTFXBQCJFH-UHFFFAOYSA-N |