4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V014-7178 |
| Compound Name: | 4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 470.91 |
| Molecular Formula: | C23 H23 Cl N4 O5 |
| Smiles: | COc1cccc(c1)N1C(N(Cc2ccccc2[Cl])C(C(C(NCC2CCCO2)=O)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8534 |
| logD: | 2.8525 |
| logSw: | -3.4947 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.856 |
| InChI Key: | VHEAOFBKWKCAKF-GOSISDBHSA-N |