N-(butan-2-yl)-2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-1,5-dioxo-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-4-fluorophenyl)methyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0745 |
| Compound Name: | N-(butan-2-yl)-2-[(2-chloro-4-fluorophenyl)methyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 457.89 |
| Molecular Formula: | C22 H21 Cl F N5 O3 |
| Smiles: | CCC(C)NC(c1ccc2C(N(C)C3=NN(Cc4ccc(cc4[Cl])F)C(N3c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8626 |
| logD: | 2.8626 |
| logSw: | -3.6407 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.099 |
| InChI Key: | XHABRBGTDHNXQQ-LBPRGKRZSA-N |