N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V027-1599 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 490.9 |
| Molecular Formula: | C25 H19 Cl N4 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(C1C(N(Cc2ccccc2[Cl])C(N(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9257 |
| logD: | 3.9253 |
| logSw: | -4.3484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.774 |
| InChI Key: | VAYCBVVIQGMCNK-UHFFFAOYSA-N |