2-(3-chloro-4-methylphenyl)-N-ethyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3-chloro-4-methylphenyl)-N-ethyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3-chloro-4-methylphenyl)-N-ethyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V021-8346 |
| Compound Name: | 2-(3-chloro-4-methylphenyl)-N-ethyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C21 H21 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CCNC(C1C(N(Cc2cccc(C)c2)C(N(c2ccc(C)c(c2)[Cl])N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1958 |
| logD: | 4.1957 |
| logSw: | -4.4348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.556 |
| InChI Key: | WDOMPBYEACRFCU-UHFFFAOYSA-N |