N-(butan-2-yl)-4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-(butan-2-yl)-4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V021-8356 |
| Compound Name: | N-(butan-2-yl)-4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 430.86 |
| Molecular Formula: | C21 H20 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)NC(C1C(N(Cc2cccc(c2)[Cl])C(N(c2ccccc2F)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7787 |
| logD: | 3.7787 |
| logSw: | -4.1913 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.07 |
| InChI Key: | ZSEKEDGKNNMDKB-ZDUSSCGKSA-N |