2-[(2-chloro-6-fluorophenyl)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-[(2-chloro-6-fluorophenyl)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-[(2-chloro-6-fluorophenyl)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: | F471-0312 |
| Compound Name: | 2-[(2-chloro-6-fluorophenyl)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: | 499.97 |
| Molecular Formula: | C25 H27 Cl F N5 O3 |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC(C)C)C3=NN(Cc4c(cccc4[Cl])F)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4746 |
| logD: | 4.4746 |
| logSw: | -4.5759 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.892 |
| InChI Key: | WTEPVYDYDCOCCF-UHFFFAOYSA-N |