N-benzyl-4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-benzyl-4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
Compound ID: | V027-4277 |
Compound Name: | N-benzyl-4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
Molecular Weight: | 446.89 |
Molecular Formula: | C24 H19 Cl N4 O3 |
Salt: | not_available |
Smiles: | C(c1ccccc1)NC(C1C(N(Cc2cccc(c2)[Cl])C(N(c2ccccc2)N=1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1842 |
logD: | 4.1699 |
logSw: | -4.4876 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.658 |
InChI Key: | SXXCIZUFTWUTIW-UHFFFAOYSA-N |