N-(cyclopropylmethyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-(cyclopropylmethyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V018-7458 |
| Compound Name: | N-(cyclopropylmethyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | Cc1ccc(CN2C(C(C(NCC3CC3)=O)=NN(C2=O)c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2828 |
| logD: | 3.2828 |
| logSw: | -3.4136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.181 |
| InChI Key: | DQUHRFYMLDTPSH-UHFFFAOYSA-N |