N-(butan-2-yl)-2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0056 |
| Compound Name: | N-(butan-2-yl)-2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 485.94 |
| Molecular Formula: | C24 H25 Cl F N5 O3 |
| Smiles: | CCCN1C2=NN(Cc3c(cccc3[Cl])F)C(N2c2cc(ccc2C1=O)C(NC(C)CC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7171 |
| logD: | 3.7171 |
| logSw: | -4.2305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.312 |
| InChI Key: | RKOPROOKMWHJCO-AWEZNQCLSA-N |